(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate

C10H13NO3 — CID 135170459

IUPAC(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate
SMILESCC1=CC(OC(=O)C2CC2)N(C)C1=O
InChIInChI=1S/C10H13NO3/c1-6-5-8(11(2)9(6)12)14-10(13)7-3-4-7/h5,7-8H,3-4H2,1-2H3
InChIKeyCRWAORFJKJJMIH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.68
Rot. Bonds2

About (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate

(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate (PubChem CID 135170459) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate
PubChem CID135170459
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate
SMILESCC1=CC(OC(=O)C2CC2)N(C)C1=O
InChIInChI=1S/C10H13NO3/c1-6-5-8(11(2)9(6)12)14-10(13)7-3-4-7/h5,7-8H,3-4H2,1-2H3
InChIKeyCRWAORFJKJJMIH-UHFFFAOYSA-N
XLogP0.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate 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 (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate?
The IUPAC name of (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate (CID 135170459) is (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate.
What is the SMILES notation for (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate?
The canonical SMILES for (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate is CC1=CC(OC(=O)C2CC2)N(C)C1=O.
What is the InChIKey of (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate?
The InChIKey is CRWAORFJKJJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-5-8(11(2)9(6)12)14-10(13)7-3-4-7/h5,7-8H,3-4H2,1-2H3.
What are the key properties of (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate?
(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate is sourced from PubChem (CID 135170459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).