2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one

C85H78N4O7 — CID 157303957

IUPAC2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
SMILESCC(=O)/C=C\c1ccc2c(c1)C1=C(CC(=O)N2)c2cc(C)ccc2C1.COc1ccc2c(c1)C1=C(CC(=O)N2)c2cc(C)ccc2C1.Cc1ccc2c(c1)C1=C(C2)c2cc(C3(C)CO3)ccc2NC(=O)C1.Cc1ccc2c(c1)C1=C(C2)c2cc(CC3(C)CC3)ccc2NC(=O)C1
InChIInChI=1S/C23H23NO.C22H19NO2.C21H19NO2.C19H17NO2/c1-14-3-5-16-11-18-19(17(16)9-14)12-22(25)24-21-6-4-15(10-20(18)21)13-23(2)7-8-23;1-13-3-7-16-11-18-19(17(16)9-13)12-22(25)23-21-8-6-15(10-20(18)21)5-4-14(2)24;1-12-3-4-13-8-16-17(15(13)7-12)10-20(23)22-19-6-5-14(9-18(16)19)21(2)11-24-21;1-11-3-4-12-8-15-16(14(12)7-11)10-19(21)20-18-6-5-13(22-2)9-17(15)18/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,24,25);3-10H,11-12H2,1-2H3,(H,23,25);3-7,9H,8,10-11H2,1-2H3,(H,22,23);3-7,9H,8,10H2,1-2H3,(H,20,21)/b;5-4-;;
InChIKeyBCFNMFVMJYCLNC-ZGVDEOGJSA-N
MW1267.58 g/mol
LogP17.42
Rot. Bonds6

About 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one

2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one (PubChem CID 157303957) has the molecular formula C85H78N4O7 and a molecular weight of 1267.58 g/mol. Its IUPAC name is 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
PubChem CID157303957
Molecular FormulaC85H78N4O7
Molecular Weight1267.58 g/mol
Exact Mass1266.59
IUPAC Name2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
SMILESCC(=O)/C=C\c1ccc2c(c1)C1=C(CC(=O)N2)c2cc(C)ccc2C1.COc1ccc2c(c1)C1=C(CC(=O)N2)c2cc(C)ccc2C1.Cc1ccc2c(c1)C1=C(C2)c2cc(C3(C)CO3)ccc2NC(=O)C1.Cc1ccc2c(c1)C1=C(C2)c2cc(CC3(C)CC3)ccc2NC(=O)C1
InChIInChI=1S/C23H23NO.C22H19NO2.C21H19NO2.C19H17NO2/c1-14-3-5-16-11-18-19(17(16)9-14)12-22(25)24-21-6-4-15(10-20(18)21)13-23(2)7-8-23;1-13-3-7-16-11-18-19(17(16)9-13)12-22(25)23-21-8-6-15(10-20(18)21)5-4-14(2)24;1-12-3-4-13-8-16-17(15(13)7-12)10-20(23)22-19-6-5-14(9-18(16)19)21(2)11-24-21;1-11-3-4-12-8-15-16(14(12)7-11)10-19(21)20-18-6-5-13(22-2)9-17(15)18/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,24,25);3-10H,11-12H2,1-2H3,(H,23,25);3-7,9H,8,10-11H2,1-2H3,(H,22,23);3-7,9H,8,10H2,1-2H3,(H,20,21)/b;5-4-;;
InChIKeyBCFNMFVMJYCLNC-ZGVDEOGJSA-N
XLogP17.42
TPSA155.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001267.58
LogP ≤ 517.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
The IUPAC name of 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one (CID 157303957) is 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one.
What is the SMILES notation for 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
The canonical SMILES for 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one is CC(=O)/C=C\c1ccc2c(c1)C1=C(CC(=O)N2)c2cc(C)ccc2C1.COc1ccc2c(c1)C1=C(CC(=O)N2)c2cc(C)ccc2C1.Cc1ccc2c(c1)C1=C(C2)c2cc(C3(C)CO3)ccc2NC(=O)C1.Cc1ccc2c(c1)C1=C(C2)c2cc(CC3(C)CC3)ccc2NC(=O)C1.
What is the InChIKey of 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
The InChIKey is BCFNMFVMJYCLNC-ZGVDEOGJSA-N. The full InChI is InChI=1S/C23H23NO.C22H19NO2.C21H19NO2.C19H17NO2/c1-14-3-5-16-11-18-19(17(16)9-14)12-22(25)24-21-6-4-15(10-20(18)21)13-23(2)7-8-23;1-13-3-7-16-11-18-19(17(16)9-13)12-22(25)23-21-8-6-15(10-20(18)21)5-4-14(2)24;1-12-3-4-13-8-16-17(15(13)7-12)10-20(23)22-19-6-5-14(9-18(16)19)21(2)11-24-21;1-11-3-4-12-8-15-16(14(12)7-11)10-19(21)20-18-6-5-13(22-2)9-17(15)18/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,24,25);3-10H,11-12H2,1-2H3,(H,23,25);3-7,9H,8,10-11H2,1-2H3,(H,22,23);3-7,9H,8,10H2,1-2H3,(H,20,21)/b;5-4-;;.
What are the key properties of 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one has a molecular weight of 1267.58 g/mol, XLogP of 17.42, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one is sourced from PubChem (CID 157303957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).