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

C12H19NO — CID 164652867

IUPAC3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one
SMILESCC1CC(CN(C)C2=CC(=O)CC2)C1
InChIInChI=1S/C12H19NO/c1-9-5-10(6-9)8-13(2)11-3-4-12(14)7-11/h7,9-10H,3-6,8H2,1-2H3
InChIKeyLSWWLYAJYKHCPZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.21
Rot. Bonds3

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

3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one (PubChem CID 164652867) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one
PubChem CID164652867
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one
SMILESCC1CC(CN(C)C2=CC(=O)CC2)C1
InChIInChI=1S/C12H19NO/c1-9-5-10(6-9)8-13(2)11-3-4-12(14)7-11/h7,9-10H,3-6,8H2,1-2H3
InChIKeyLSWWLYAJYKHCPZ-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(prop-2-ynyl)amino]cyclopent-2-en-1-one
CID 104788021
3-[methyl(3-methylbutyl)amino]cyclopent-2-en-1-one
CID 104787771
3-[methyl-[(5-phenyloxan-3-yl)methyl]amino]cyclopent-2-en-1-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
CID 143245893
3-[(4-ethylcyclohexyl)-methylamino]cyclopent-2-en-1-one
CID 104787794
3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one
CID 114949935
3-[ethyl(propyl)amino]cyclopent-2-en-1-one
CID 104787696
3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
CID 130992491
3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one
CID 102994053
N-methyl-N-[(3-methylcyclobutyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 164652839
3-[(3,5-dimethylcyclohexyl)amino]cyclopent-2-en-1-one
CID 104788564
3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one
CID 104787803
4-[(4-methoxy-N,3-dimethylanilino)methyl]cyclohexan-1-one
CID 115240070

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one (CID 164652867) is 3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one is CC1CC(CN(C)C2=CC(=O)CC2)C1.
What is the InChIKey of 3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one?
The InChIKey is LSWWLYAJYKHCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-10(6-9)8-13(2)11-3-4-12(14)7-11/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one?
3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3-methylcyclobutyl)methyl]amino]cyclopent-2-en-1-one is sourced from PubChem (CID 164652867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).