(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide

C11H11N3O — CID 787842

IUPAC(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1ccc[nH]1)C(=O)NC1CC1
InChIInChI=1S/C11H11N3O/c12-7-8(6-10-2-1-5-13-10)11(15)14-9-3-4-9/h1-2,5-6,9,13H,3-4H2,(H,14,15)/b8-6-
InChIKeyRKJYHNSWLQQSKJ-VURMDHGXSA-N
MW201.23 g/mol
LogP1.20
Rot. Bonds3

About (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide

(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide (PubChem CID 787842) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide
PubChem CID787842
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1ccc[nH]1)C(=O)NC1CC1
InChIInChI=1S/C11H11N3O/c12-7-8(6-10-2-1-5-13-10)11(15)14-9-3-4-9/h1-2,5-6,9,13H,3-4H2,(H,14,15)/b8-6-
InChIKeyRKJYHNSWLQQSKJ-VURMDHGXSA-N
XLogP1.20
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide 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

(E)-2-cyano-3-(1H-pyrrol-2-yl)-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]prop-2-enamide
CID 7188416
(Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 126384232
(E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide
CID 9045344
2-(piperidine-1-carbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 2803264
2-cyano-N-(2,5-dichlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 4506842
3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzoic acid
CID 57397719
(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 23476689
(E)-2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide
CID 8865669
(E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enethioamide
CID 24650034
(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 35746506
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide (CID 787842) is (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide is N#C/C(=C/c1ccc[nH]1)C(=O)NC1CC1.
What is the InChIKey of (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide?
The InChIKey is RKJYHNSWLQQSKJ-VURMDHGXSA-N. The full InChI is InChI=1S/C11H11N3O/c12-7-8(6-10-2-1-5-13-10)11(15)14-9-3-4-9/h1-2,5-6,9,13H,3-4H2,(H,14,15)/b8-6-.
What are the key properties of (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide?
(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide has a molecular weight of 201.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide is sourced from PubChem (CID 787842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).