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

C12H19NO — CID 104788518

IUPAC3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one
SMILESCC1(CNC2=CC(=O)CC2)CCCC1
InChIInChI=1S/C12H19NO/c1-12(6-2-3-7-12)9-13-10-4-5-11(14)8-10/h8,13H,2-7,9H2,1H3
InChIKeyZKJHXNDDVSJKOA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.40
Rot. Bonds3

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

3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one (PubChem CID 104788518) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one
PubChem CID104788518
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one
SMILESCC1(CNC2=CC(=O)CC2)CCCC1
InChIInChI=1S/C12H19NO/c1-12(6-2-3-7-12)9-13-10-4-5-11(14)8-10/h8,13H,2-7,9H2,1H3
InChIKeyZKJHXNDDVSJKOA-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one
CID 104788576
4-[(1-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956636
3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one
CID 104788621
3-(decylamino)cyclopent-2-en-1-one
CID 113453186
3-[2-(dimethylamino)propylamino]cyclopent-2-en-1-one
CID 104788324
N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide
CID 104788236
3-(4-methoxybutylamino)cyclopent-2-en-1-one
CID 104788426
N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 63822155
3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one
CID 104788205
4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 115355130
3-(2-oxopropylamino)cyclohex-2-en-1-one
CID 86092292
N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 63831451

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one (CID 104788518) is 3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one is CC1(CNC2=CC(=O)CC2)CCCC1.
What is the InChIKey of 3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one?
The InChIKey is ZKJHXNDDVSJKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(6-2-3-7-12)9-13-10-4-5-11(14)8-10/h8,13H,2-7,9H2,1H3.
What are the key properties of 3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one?
3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).