1-(4-methylhexyl)pyrrolidin-2-one

C11H21NO — CID 67234946

IUPAC1-(4-methylhexyl)pyrrolidin-2-one
SMILESCCC(C)CCCN1CCCC1=O
InChIInChI=1S/C11H21NO/c1-3-10(2)6-4-8-12-9-5-7-11(12)13/h10H,3-9H2,1-2H3
InChIKeyPOOCBAHTVJTFDO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.44
Rot. Bonds5

About 1-(4-methylhexyl)pyrrolidin-2-one

1-(4-methylhexyl)pyrrolidin-2-one (PubChem CID 67234946) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(4-methylhexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylhexyl)pyrrolidin-2-one
PubChem CID67234946
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(4-methylhexyl)pyrrolidin-2-one
SMILESCCC(C)CCCN1CCCC1=O
InChIInChI=1S/C11H21NO/c1-3-10(2)6-4-8-12-9-5-7-11(12)13/h10H,3-9H2,1-2H3
InChIKeyPOOCBAHTVJTFDO-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylhexyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylhexyl)pyrrolidin-2-one (CID 67234946) is 1-(4-methylhexyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylhexyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylhexyl)pyrrolidin-2-one is CCC(C)CCCN1CCCC1=O.
What is the InChIKey of 1-(4-methylhexyl)pyrrolidin-2-one?
The InChIKey is POOCBAHTVJTFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(2)6-4-8-12-9-5-7-11(12)13/h10H,3-9H2,1-2H3.
What are the key properties of 1-(4-methylhexyl)pyrrolidin-2-one?
1-(4-methylhexyl)pyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylhexyl)pyrrolidin-2-one is sourced from PubChem (CID 67234946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).