3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one

C15H20N2O — CID 3844156

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
SMILESO=C1NCCCCC1NC1Cc2ccccc2C1
InChIInChI=1S/C15H20N2O/c18-15-14(7-3-4-8-16-15)17-13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13-14,17H,3-4,7-10H2,(H,16,18)
InChIKeyWCZQTRRXOVQQAY-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.41
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one

3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one (PubChem CID 3844156) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
PubChem CID3844156
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
SMILESO=C1NCCCCC1NC1Cc2ccccc2C1
InChIInChI=1S/C15H20N2O/c18-15-14(7-3-4-8-16-15)17-13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13-14,17H,3-4,7-10H2,(H,16,18)
InChIKeyWCZQTRRXOVQQAY-UHFFFAOYSA-N
XLogP1.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)azepan-2-one
CID 103981131
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one
CID 30982772
N-(2-oxoazepan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887963
(3S)-3-(pyrimidin-2-ylamino)azepan-2-one
CID 40506869
(3R)-3-[[(1R,3S)-3-methylcyclohexyl]amino]azepan-2-one
CID 40501731
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-(oxepan-4-ylamino)azepan-2-one
CID 65081835
3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
CID 64734523
N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901257
3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098
3-(2-iodoanilino)azepan-2-one
CID 43124817

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one (CID 3844156) is 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one is O=C1NCCCCC1NC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one?
The InChIKey is WCZQTRRXOVQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15-14(7-3-4-8-16-15)17-13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13-14,17H,3-4,7-10H2,(H,16,18).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one?
3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one has a molecular weight of 244.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one is sourced from PubChem (CID 3844156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).