4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide

C11H15N3O — CID 61117214

IUPAC4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C11H15N3O/c1-2-5-13-11(15)10-6-8(12)7-14(10)9-3-4-9/h2,6-7,9H,1,3-5,12H2,(H,13,15)
InChIKeyWZIVRVYARBBYRU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.32
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide (PubChem CID 61117214) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
PubChem CID61117214
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C11H15N3O/c1-2-5-13-11(15)10-6-8(12)7-14(10)9-3-4-9/h2,6-7,9H,1,3-5,12H2,(H,13,15)
InChIKeyWZIVRVYARBBYRU-UHFFFAOYSA-N
XLogP1.32
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-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

4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
CID 114158303
4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide
CID 43642381
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 113493826
4-amino-1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 106139336
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 83176737
4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43643307
4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 82881718

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide (CID 61117214) is 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide is C=CCNC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide?
The InChIKey is WZIVRVYARBBYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-5-13-11(15)10-6-8(12)7-14(10)9-3-4-9/h2,6-7,9H,1,3-5,12H2,(H,13,15).
What are the key properties of 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide is sourced from PubChem (CID 61117214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).