3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one

C12H19NO2 — CID 114949935

IUPAC3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one
SMILESCN(CC1(O)CCCC1)C1=CC(=O)CC1
InChIInChI=1S/C12H19NO2/c1-13(10-4-5-11(14)8-10)9-12(15)6-2-3-7-12/h8,15H,2-7,9H2,1H3
InChIKeySGBZSKUYJUDCLS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.47
Rot. Bonds3

About 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one

3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one (PubChem CID 114949935) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one
PubChem CID114949935
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one
SMILESCN(CC1(O)CCCC1)C1=CC(=O)CC1
InChIInChI=1S/C12H19NO2/c1-13(10-4-5-11(14)8-10)9-12(15)6-2-3-7-12/h8,15H,2-7,9H2,1H3
InChIKeySGBZSKUYJUDCLS-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1-hydroxycyclopentyl)methyl-methylamino]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-[methyl(prop-2-ynyl)amino]cyclopent-2-en-1-one
CID 104788021
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
CID 114949916
3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one
CID 104787771
3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one
CID 104788576
(2R)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103840269
1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
CID 115868665
2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one
CID 114950414
1-[[(6-methoxy-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952050
3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one
CID 164652867
1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115774269
1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
CID 114949985
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one (CID 114949935) is 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one is CN(CC1(O)CCCC1)C1=CC(=O)CC1.
What is the InChIKey of 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one?
The InChIKey is SGBZSKUYJUDCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13(10-4-5-11(14)8-10)9-12(15)6-2-3-7-12/h8,15H,2-7,9H2,1H3.
What are the key properties of 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one?
3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 114949935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).