1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one

C16H21NO — CID 143257473

IUPAC1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one
SMILESC=C(c1ccc(C)cc1)C(CC)N1CCCC1=O
InChIInChI=1S/C16H21NO/c1-4-15(17-11-5-6-16(17)18)13(3)14-9-7-12(2)8-10-14/h7-10,15H,3-6,11H2,1-2H3
InChIKeyWIIZEIXBVHNWKH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.41
Rot. Bonds4

About 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one

1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one (PubChem CID 143257473) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one
PubChem CID143257473
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one
SMILESC=C(c1ccc(C)cc1)C(CC)N1CCCC1=O
InChIInChI=1S/C16H21NO/c1-4-15(17-11-5-6-16(17)18)13(3)14-9-7-12(2)8-10-14/h7-10,15H,3-6,11H2,1-2H3
InChIKeyWIIZEIXBVHNWKH-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one (CID 143257473) is 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one is C=C(c1ccc(C)cc1)C(CC)N1CCCC1=O.
What is the InChIKey of 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one?
The InChIKey is WIIZEIXBVHNWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-15(17-11-5-6-16(17)18)13(3)14-9-7-12(2)8-10-14/h7-10,15H,3-6,11H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one?
1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one has a molecular weight of 243.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)pent-1-en-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 143257473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).