1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one

C14H17NO — CID 155936663

IUPAC1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one
SMILESCCC1=C(C)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H17NO/c1-3-13-11(2)9-15(14(13)16)10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyHCBXDILODGADSR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.76
Rot. Bonds3

About 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one

1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one (PubChem CID 155936663) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one
PubChem CID155936663
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one
SMILESCCC1=C(C)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H17NO/c1-3-13-11(2)9-15(14(13)16)10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyHCBXDILODGADSR-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one (CID 155936663) is 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one is CCC1=C(C)CN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one?
The InChIKey is HCBXDILODGADSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-13-11(2)9-15(14(13)16)10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one?
1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one has a molecular weight of 215.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 155936663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).