2-cyclohexyl-5-methylpyrrol-3-one

C11H15NO — CID 141202518

IUPAC2-cyclohexyl-5-methylpyrrol-3-one
SMILESCC1=CC(=O)C(C2CCCCC2)=N1
InChIInChI=1S/C11H15NO/c1-8-7-10(13)11(12-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyQWAUSHXHRVEWOV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.49
Rot. Bonds1

About 2-cyclohexyl-5-methylpyrrol-3-one

2-cyclohexyl-5-methylpyrrol-3-one (PubChem CID 141202518) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-cyclohexyl-5-methylpyrrol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methylpyrrol-3-one
PubChem CID141202518
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-cyclohexyl-5-methylpyrrol-3-one
SMILESCC1=CC(=O)C(C2CCCCC2)=N1
InChIInChI=1S/C11H15NO/c1-8-7-10(13)11(12-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyQWAUSHXHRVEWOV-UHFFFAOYSA-N
XLogP2.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methylpyrrol-3-one?
The IUPAC name of 2-cyclohexyl-5-methylpyrrol-3-one (CID 141202518) is 2-cyclohexyl-5-methylpyrrol-3-one.
What is the SMILES notation for 2-cyclohexyl-5-methylpyrrol-3-one?
The canonical SMILES for 2-cyclohexyl-5-methylpyrrol-3-one is CC1=CC(=O)C(C2CCCCC2)=N1.
What is the InChIKey of 2-cyclohexyl-5-methylpyrrol-3-one?
The InChIKey is QWAUSHXHRVEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-7-10(13)11(12-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-5-methylpyrrol-3-one?
2-cyclohexyl-5-methylpyrrol-3-one has a molecular weight of 177.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methylpyrrol-3-one is sourced from PubChem (CID 141202518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).