1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one

C14H19NO2 — CID 144604078

IUPAC1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CC1CCC(C(C)=O)CC1
InChIInChI=1S/C14H19NO2/c1-10-3-8-14(17)15(10)9-12-4-6-13(7-5-12)11(2)16/h3,8,12-13H,1,4-7,9H2,2H3
InChIKeyUJBCUXAURWUEPG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds3

About 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one

1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one (PubChem CID 144604078) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one
PubChem CID144604078
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CC1CCC(C(C)=O)CC1
InChIInChI=1S/C14H19NO2/c1-10-3-8-14(17)15(10)9-12-4-6-13(7-5-12)11(2)16/h3,8,12-13H,1,4-7,9H2,2H3
InChIKeyUJBCUXAURWUEPG-UHFFFAOYSA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one?
The IUPAC name of 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one (CID 144604078) is 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1CC1CCC(C(C)=O)CC1.
What is the InChIKey of 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one?
The InChIKey is UJBCUXAURWUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-8-14(17)15(10)9-12-4-6-13(7-5-12)11(2)16/h3,8,12-13H,1,4-7,9H2,2H3.
What are the key properties of 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one?
1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one is sourced from PubChem (CID 144604078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).