2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone

C11H14ClNO — CID 2095680

IUPAC2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CCl)c(C)n1C1CC1
InChIInChI=1S/C11H14ClNO/c1-7-5-10(11(14)6-12)8(2)13(7)9-3-4-9/h5,9H,3-4,6H2,1-2H3
InChIKeyVDOWBQXUDGEQHE-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.86
Rot. Bonds3

About 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone

2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 2095680) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID2095680
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CCl)c(C)n1C1CC1
InChIInChI=1S/C11H14ClNO/c1-7-5-10(11(14)6-12)8(2)13(7)9-3-4-9/h5,9H,3-4,6H2,1-2H3
InChIKeyVDOWBQXUDGEQHE-UHFFFAOYSA-N
XLogP2.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-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 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 2095680) is 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CCl)c(C)n1C1CC1.
What is the InChIKey of 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is VDOWBQXUDGEQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-5-10(11(14)6-12)8(2)13(7)9-3-4-9/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 211.69 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 2095680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).