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

C11H17NO — CID 104788503

IUPAC3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one
SMILESCC1CCCC1NC1=CC(=O)CC1
InChIInChI=1S/C11H17NO/c1-8-3-2-4-11(8)12-9-5-6-10(13)7-9/h7-8,11-12H,2-6H2,1H3
InChIKeyPKNHLMIGUZKAFK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.01
Rot. Bonds2

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

3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one (PubChem CID 104788503) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one
PubChem CID104788503
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one
SMILESCC1CCCC1NC1=CC(=O)CC1
InChIInChI=1S/C11H17NO/c1-8-3-2-4-11(8)12-9-5-6-10(13)7-9/h7-8,11-12H,2-6H2,1H3
InChIKeyPKNHLMIGUZKAFK-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1S,2R)-2-hydroxycyclohexyl]amino]cyclohex-2-en-1-one
CID 69448828
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
4,6-dimethyl-N-(2-methylcyclopentyl)pyrimidin-2-amine
CID 63281309
6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63278188
N-(2-methylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79503706
3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923141
N-(2-methylcyclopentyl)pyrimidin-5-amine
CID 107587748
2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine
CID 96923185
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
5-methyl-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281216
4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline
CID 43726302

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one (CID 104788503) is 3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one is CC1CCCC1NC1=CC(=O)CC1.
What is the InChIKey of 3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one?
The InChIKey is PKNHLMIGUZKAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-3-2-4-11(8)12-9-5-6-10(13)7-9/h7-8,11-12H,2-6H2,1H3.
What are the key properties of 3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one?
3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).