1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one

C14H17NO — CID 141101121

IUPAC1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one
SMILESCc1cccc(CCCN2CC=CC2=O)c1
InChIInChI=1S/C14H17NO/c1-12-5-2-6-13(11-12)7-3-9-15-10-4-8-14(15)16/h2,4-6,8,11H,3,7,9-10H2,1H3
InChIKeyVEGOUXIHEHEWJV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.33
Rot. Bonds4

About 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one

1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one (PubChem CID 141101121) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one
PubChem CID141101121
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one
SMILESCc1cccc(CCCN2CC=CC2=O)c1
InChIInChI=1S/C14H17NO/c1-12-5-2-6-13(11-12)7-3-9-15-10-4-8-14(15)16/h2,4-6,8,11H,3,7,9-10H2,1H3
InChIKeyVEGOUXIHEHEWJV-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one (CID 141101121) is 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one is Cc1cccc(CCCN2CC=CC2=O)c1.
What is the InChIKey of 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one?
The InChIKey is VEGOUXIHEHEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-12-5-2-6-13(11-12)7-3-9-15-10-4-8-14(15)16/h2,4-6,8,11H,3,7,9-10H2,1H3.
What are the key properties of 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one?
1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one has a molecular weight of 215.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenyl)propyl]-2H-pyrrol-5-one is sourced from PubChem (CID 141101121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).