1-(1-butylpyrrol-3-yl)ethanone

C10H15NO — CID 15112379

IUPAC1-(1-butylpyrrol-3-yl)ethanone
SMILESCCCCn1ccc(C(C)=O)c1
InChIInChI=1S/C10H15NO/c1-3-4-6-11-7-5-10(8-11)9(2)12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXTIPOGYBHOAVAF-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.49
Rot. Bonds4

About 1-(1-butylpyrrol-3-yl)ethanone

1-(1-butylpyrrol-3-yl)ethanone (PubChem CID 15112379) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(1-butylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-butylpyrrol-3-yl)ethanone
PubChem CID15112379
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(1-butylpyrrol-3-yl)ethanone
SMILESCCCCn1ccc(C(C)=O)c1
InChIInChI=1S/C10H15NO/c1-3-4-6-11-7-5-10(8-11)9(2)12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXTIPOGYBHOAVAF-UHFFFAOYSA-N
XLogP2.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-butylpyrrol-3-yl)ethanone 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-(1-butylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(1-butylpyrrol-3-yl)ethanone (CID 15112379) is 1-(1-butylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(1-butylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(1-butylpyrrol-3-yl)ethanone is CCCCn1ccc(C(C)=O)c1.
What is the InChIKey of 1-(1-butylpyrrol-3-yl)ethanone?
The InChIKey is XTIPOGYBHOAVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-6-11-7-5-10(8-11)9(2)12/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 1-(1-butylpyrrol-3-yl)ethanone?
1-(1-butylpyrrol-3-yl)ethanone has a molecular weight of 165.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylpyrrol-3-yl)ethanone is sourced from PubChem (CID 15112379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).