3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one

C12H19NO2 — CID 104788684

IUPAC3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one
SMILESO=C1C=C(NC2CCCCCC2O)CC1
InChIInChI=1S/C12H19NO2/c14-10-7-6-9(8-10)13-11-4-2-1-3-5-12(11)15/h8,11-13,15H,1-7H2
InChIKeyOIPVNULNTVKPBA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.52
Rot. Bonds2

About 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one

3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one (PubChem CID 104788684) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one
PubChem CID104788684
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one
SMILESO=C1C=C(NC2CCCCCC2O)CC1
InChIInChI=1S/C12H19NO2/c14-10-7-6-9(8-10)13-11-4-2-1-3-5-12(11)15/h8,11-13,15H,1-7H2
InChIKeyOIPVNULNTVKPBA-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-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-[[(1S,2R)-2-hydroxycyclohexyl]amino]cyclohex-2-en-1-one
CID 69448828
3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one
CID 104788503
2-(2,3-dihydro-1H-inden-5-ylamino)cyclohexan-1-ol
CID 60886704
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione
CID 102731368
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
2-(3,4-dimethylanilino)cycloheptan-1-ol
CID 60896994
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
CID 102731230
2-(2,4,6-tribromoanilino)cycloheptan-1-ol
CID 63489385
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one (CID 104788684) is 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one is O=C1C=C(NC2CCCCCC2O)CC1.
What is the InChIKey of 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one?
The InChIKey is OIPVNULNTVKPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-10-7-6-9(8-10)13-11-4-2-1-3-5-12(11)15/h8,11-13,15H,1-7H2.
What are the key properties of 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one?
3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycycloheptyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).