(Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide

C14H14N4O — CID 126384232

IUPAC(Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide
SMILESCc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc[nH]1
InChIInChI=1S/C14H14N4O/c1-10-5-6-11(2)18(10)17-14(19)12(9-15)8-13-4-3-7-16-13/h3-8,16H,1-2H3,(H,17,19)/b12-8-
InChIKeyZECIXFGTLSDWNW-WQLSENKSSA-N
MW254.29 g/mol
LogP2.11
Rot. Bonds3

About (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide

(Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide (PubChem CID 126384232) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide
PubChem CID126384232
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide
SMILESCc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc[nH]1
InChIInChI=1S/C14H14N4O/c1-10-5-6-11(2)18(10)17-14(19)12(9-15)8-13-4-3-7-16-13/h3-8,16H,1-2H3,(H,17,19)/b12-8-
InChIKeyZECIXFGTLSDWNW-WQLSENKSSA-N
XLogP2.11
TPSA73.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 787842
2-cyano-N-(2,5-dichlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 4506842
(E)-2-cyano-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 56727076
2-(piperidine-1-carbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 2803264
(2E,4E)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-5-phenylpenta-2,4-dienamide
CID 126392520
(E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enethioamide
CID 24650034
(E)-2-cyano-3-(1H-pyrrol-2-yl)-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]prop-2-enamide
CID 7188416
(Z)-2-cyano-3-(3,4-diethoxyphenyl)-N-(2,5-dimethylpyrrol-1-yl)prop-2-enamide
CID 126390939
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2,5-dimethylpyrrol-1-yl)prop-2-enamide
CID 126393568
(E)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1-ethyl-2-methylindol-3-yl)prop-2-enamide
CID 126385982
(E)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enamide
CID 126386716
(Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enamide
CID 126393474

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide (CID 126384232) is (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide is Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc[nH]1.
What is the InChIKey of (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide?
The InChIKey is ZECIXFGTLSDWNW-WQLSENKSSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-5-6-11(2)18(10)17-14(19)12(9-15)8-13-4-3-7-16-13/h3-8,16H,1-2H3,(H,17,19)/b12-8-.
What are the key properties of (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide?
(Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide has a molecular weight of 254.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide is sourced from PubChem (CID 126384232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).