1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one

C24H30N2O2 — CID 176690662

IUPAC1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
SMILESCC(C)N1C(=O)CCCc2ccccc21.CC(C)N1C(=O)Cc2ccccc21
InChIInChI=1S/C13H17NO.C11H13NO/c1-10(2)14-12-8-4-3-6-11(12)7-5-9-13(14)15;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,8H,7H2,1-2H3
InChIKeySSASHQROQUVHIK-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.75
Rot. Bonds2

About 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one

1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one (PubChem CID 176690662) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
PubChem CID176690662
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
SMILESCC(C)N1C(=O)CCCc2ccccc21.CC(C)N1C(=O)Cc2ccccc21
InChIInChI=1S/C13H17NO.C11H13NO/c1-10(2)14-12-8-4-3-6-11(12)7-5-9-13(14)15;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,8H,7H2,1-2H3
InChIKeySSASHQROQUVHIK-UHFFFAOYSA-N
XLogP4.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43329359
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276085
(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886787
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 134893395
6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one
CID 58575678
1-[1-(azepan-1-yl)-1-oxobutan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276095
1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758044
(2S)-N-[3-(cyclopropylamino)-3-oxopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831171
6-fluoro-1-propan-2-yl-3H-indol-2-one
CID 117206076
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one?
The IUPAC name of 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one (CID 176690662) is 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one.
What is the SMILES notation for 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one?
The canonical SMILES for 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one is CC(C)N1C(=O)CCCc2ccccc21.CC(C)N1C(=O)Cc2ccccc21.
What is the InChIKey of 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one?
The InChIKey is SSASHQROQUVHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C11H13NO/c1-10(2)14-12-8-4-3-6-11(12)7-5-9-13(14)15;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,8H,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one?
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one has a molecular weight of 378.52 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one is sourced from PubChem (CID 176690662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).