1-cyclopropyl-N-methoxypyrrole-2-carboxamide

C9H12N2O2 — CID 130688562

IUPAC1-cyclopropyl-N-methoxypyrrole-2-carboxamide
SMILESCONC(=O)c1cccn1C1CC1
InChIInChI=1S/C9H12N2O2/c1-13-10-9(12)8-3-2-6-11(8)7-4-5-7/h2-3,6-7H,4-5H2,1H3,(H,10,12)
InChIKeyWIKGITQBYLPZJK-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.11
Rot. Bonds3

About 1-cyclopropyl-N-methoxypyrrole-2-carboxamide

1-cyclopropyl-N-methoxypyrrole-2-carboxamide (PubChem CID 130688562) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-cyclopropyl-N-methoxypyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-methoxypyrrole-2-carboxamide
PubChem CID130688562
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-cyclopropyl-N-methoxypyrrole-2-carboxamide
SMILESCONC(=O)c1cccn1C1CC1
InChIInChI=1S/C9H12N2O2/c1-13-10-9(12)8-3-2-6-11(8)7-4-5-7/h2-3,6-7H,4-5H2,1H3,(H,10,12)
InChIKeyWIKGITQBYLPZJK-UHFFFAOYSA-N
XLogP1.11
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-N-methoxypyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 61240041
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076810
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
1-cyclopropyl-N-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 84597196
1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one
CID 91090923
1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
CID 91774545
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methoxypyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-methoxypyrrole-2-carboxamide (CID 130688562) is 1-cyclopropyl-N-methoxypyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-methoxypyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-methoxypyrrole-2-carboxamide is CONC(=O)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methoxypyrrole-2-carboxamide?
The InChIKey is WIKGITQBYLPZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-10-9(12)8-3-2-6-11(8)7-4-5-7/h2-3,6-7H,4-5H2,1H3,(H,10,12).
What are the key properties of 1-cyclopropyl-N-methoxypyrrole-2-carboxamide?
1-cyclopropyl-N-methoxypyrrole-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methoxypyrrole-2-carboxamide is sourced from PubChem (CID 130688562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).