1-cyclohexyl-3-methyl-2H-pyrrol-5-one

C11H17NO — CID 14120557

IUPAC1-cyclohexyl-3-methyl-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C11H17NO/c1-9-7-11(13)12(8-9)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyITOLGSSFBREMKZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds1

About 1-cyclohexyl-3-methyl-2H-pyrrol-5-one

1-cyclohexyl-3-methyl-2H-pyrrol-5-one (PubChem CID 14120557) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-2H-pyrrol-5-one
PubChem CID14120557
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-cyclohexyl-3-methyl-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C11H17NO/c1-9-7-11(13)12(8-9)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyITOLGSSFBREMKZ-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-cyclohexyl-3-methyl-2H-pyrrol-5-one (CID 14120557) is 1-cyclohexyl-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclohexyl-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclohexyl-3-methyl-2H-pyrrol-5-one is CC1=CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-methyl-2H-pyrrol-5-one?
The InChIKey is ITOLGSSFBREMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-7-11(13)12(8-9)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3.
What are the key properties of 1-cyclohexyl-3-methyl-2H-pyrrol-5-one?
1-cyclohexyl-3-methyl-2H-pyrrol-5-one has a molecular weight of 179.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 14120557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).