1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one

C21H24N2O — CID 174326503

IUPAC1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one
SMILESCC1=CC(N2C(=O)Cc3ccccc32)=CC=CN1C1CCCCC1
InChIInChI=1S/C21H24N2O/c1-16-14-19(11-7-13-22(16)18-9-3-2-4-10-18)23-20-12-6-5-8-17(20)15-21(23)24/h5-8,11-14,18H,2-4,9-10,15H2,1H3
InChIKeyOHQXFXSGJRDHOU-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.53
Rot. Bonds2

About 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one

1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one (PubChem CID 174326503) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one
PubChem CID174326503
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one
SMILESCC1=CC(N2C(=O)Cc3ccccc32)=CC=CN1C1CCCCC1
InChIInChI=1S/C21H24N2O/c1-16-14-19(11-7-13-22(16)18-9-3-2-4-10-18)23-20-12-6-5-8-17(20)15-21(23)24/h5-8,11-14,18H,2-4,9-10,15H2,1H3
InChIKeyOHQXFXSGJRDHOU-UHFFFAOYSA-N
XLogP4.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
CID 102193133
CID 102193133
1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one
CID 134858041
1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one
CID 159480286
1-phenyl-5H-1-benzazepine-2,4-dione
CID 67618146
1-(2-chloro-6-methylphenyl)-3H-indol-2-one
CID 70610561
2-cycloheptyl-4H-isoquinoline-1,3-dione
CID 82132343
1-cyclooctylpyrrolidine-2,4-dione
CID 79516413
1-(4-hydroxyphenyl)-3H-indol-2-one
CID 11977007
1-[4-(aminomethyl)phenyl]-3H-indol-2-one
CID 117030089
3-(2-oxo-3H-indol-1-yl)pyrrole-2,5-dione
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3-(1-cyclohexyl-4H-quinolin-3-yl)propanamide
CID 68541371

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one?
The IUPAC name of 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one (CID 174326503) is 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one.
What is the SMILES notation for 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one?
The canonical SMILES for 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one is CC1=CC(N2C(=O)Cc3ccccc32)=CC=CN1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one?
The InChIKey is OHQXFXSGJRDHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-14-19(11-7-13-22(16)18-9-3-2-4-10-18)23-20-12-6-5-8-17(20)15-21(23)24/h5-8,11-14,18H,2-4,9-10,15H2,1H3.
What are the key properties of 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one?
1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one has a molecular weight of 320.44 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2-methylazepin-4-yl)-3H-indol-2-one is sourced from PubChem (CID 174326503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).