5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one

C12H21NO — CID 66106098

IUPAC5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one
SMILESCC1CCCC(C2CC(=O)NC2C)C1
InChIInChI=1S/C12H21NO/c1-8-4-3-5-10(6-8)11-7-12(14)13-9(11)2/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyPPTQLWYYJDYCJZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds1

About 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one

5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one (PubChem CID 66106098) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one
PubChem CID66106098
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one
SMILESCC1CCCC(C2CC(=O)NC2C)C1
InChIInChI=1S/C12H21NO/c1-8-4-3-5-10(6-8)11-7-12(14)13-9(11)2/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyPPTQLWYYJDYCJZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one (CID 66106098) is 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one is CC1CCCC(C2CC(=O)NC2C)C1.
What is the InChIKey of 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one?
The InChIKey is PPTQLWYYJDYCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8-4-3-5-10(6-8)11-7-12(14)13-9(11)2/h8-11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one?
5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 66106098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).