5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one

C18H25NO — CID 66102590

IUPAC5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one
SMILESCC1CCC(C2CC(=O)NC2Cc2ccccc2)CC1
InChIInChI=1S/C18H25NO/c1-13-7-9-15(10-8-13)16-12-18(20)19-17(16)11-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3,(H,19,20)
InChIKeyOJVMSEDRVRMXJP-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.56
Rot. Bonds3

About 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one

5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one (PubChem CID 66102590) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one
PubChem CID66102590
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one
SMILESCC1CCC(C2CC(=O)NC2Cc2ccccc2)CC1
InChIInChI=1S/C18H25NO/c1-13-7-9-15(10-8-13)16-12-18(20)19-17(16)11-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3,(H,19,20)
InChIKeyOJVMSEDRVRMXJP-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one (CID 66102590) is 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one is CC1CCC(C2CC(=O)NC2Cc2ccccc2)CC1.
What is the InChIKey of 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one?
The InChIKey is OJVMSEDRVRMXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13-7-9-15(10-8-13)16-12-18(20)19-17(16)11-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3,(H,19,20).
What are the key properties of 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one?
5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one has a molecular weight of 271.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 66102590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).