9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one

C15H18N2O — CID 134103971

IUPAC9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one
SMILESCC1(C)CC(=O)C2C=Nc3ccccc3NC2C1
InChIInChI=1S/C15H18N2O/c1-15(2)7-13-10(14(18)8-15)9-16-11-5-3-4-6-12(11)17-13/h3-6,9-10,13,17H,7-8H2,1-2H3
InChIKeyFUUDVNXXANFXOX-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.19
Rot. Bonds

About 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one

9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one (PubChem CID 134103971) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one.

Molecular Properties

Compound Name9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one
PubChem CID134103971
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one
SMILESCC1(C)CC(=O)C2C=Nc3ccccc3NC2C1
InChIInChI=1S/C15H18N2O/c1-15(2)7-13-10(14(18)8-15)9-16-11-5-3-4-6-12(11)17-13/h3-6,9-10,13,17H,7-8H2,1-2H3
InChIKeyFUUDVNXXANFXOX-UHFFFAOYSA-N
XLogP3.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one with MolForge

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Related Compounds

1,2-dihydroquinoxalin-2-amine
CID 67737882
methyl 1,2-dihydroquinoxaline-2-carboxylate
CID 141421271
2-propan-2-yl-1,2-dihydroquinoxaline
CID 86095880
2-(chloromethyl)-1,2-dihydroquinoxaline
CID 173100773
(4S,4aS,8aR)-7,7-dimethyl-4-phenyl-2-sulfanylidene-3,4,4a,6,8,8a-hexahydro-1H-quinazolin-5-one
CID 129413196
7,7-dimethyl-4-phenyl-2-sulfanylidene-3,4,4a,6,8,8a-hexahydro-1H-quinazolin-5-one
CID 53487558
2-(1,2-dihydroquinoxalin-2-yl)acetic acid
CID 68738150
(6S)-6-(furan-2-yl)-9,9-dimethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 6937678
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
(3aS,7aS)-6,6-dimethyl-3-(2-methylphenyl)-3a,5,7,7a-tetrahydro-1H-indazol-4-one
CID 124679472
6,6-dimethyl-3-(2-methylphenyl)-3a,5,7,7a-tetrahydro-1H-indazol-4-one
CID 91757492
(6R)-6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 6962550

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one?
The IUPAC name of 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one (CID 134103971) is 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one.
What is the SMILES notation for 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one?
The canonical SMILES for 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one is CC1(C)CC(=O)C2C=Nc3ccccc3NC2C1.
What is the InChIKey of 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one?
The InChIKey is FUUDVNXXANFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2)7-13-10(14(18)8-15)9-16-11-5-3-4-6-12(11)17-13/h3-6,9-10,13,17H,7-8H2,1-2H3.
What are the key properties of 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one?
9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one has a molecular weight of 242.32 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one is sourced from PubChem (CID 134103971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).