2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one

C15H23NO — CID 156688474

IUPAC2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one
SMILESCCC(CC)C(=O)C1(n2cccc2)CCCC1
InChIInChI=1S/C15H23NO/c1-3-13(4-2)14(17)15(9-5-6-10-15)16-11-7-8-12-16/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyGJNFSJZSKBIMCQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.76
Rot. Bonds5

About 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one

2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one (PubChem CID 156688474) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one
PubChem CID156688474
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one
SMILESCCC(CC)C(=O)C1(n2cccc2)CCCC1
InChIInChI=1S/C15H23NO/c1-3-13(4-2)14(17)15(9-5-6-10-15)16-11-7-8-12-16/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyGJNFSJZSKBIMCQ-UHFFFAOYSA-N
XLogP3.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-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 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one?
The IUPAC name of 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one (CID 156688474) is 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one is CCC(CC)C(=O)C1(n2cccc2)CCCC1.
What is the InChIKey of 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one?
The InChIKey is GJNFSJZSKBIMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-13(4-2)14(17)15(9-5-6-10-15)16-11-7-8-12-16/h7-8,11-13H,3-6,9-10H2,1-2H3.
What are the key properties of 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one?
2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-pyrrol-1-ylcyclopentyl)butan-1-one is sourced from PubChem (CID 156688474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).