(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide

C12H10N4O2 — CID 146025232

IUPAC(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESN#C/C(=C\c1cnc[nH]1)C(=O)NCc1ccco1
InChIInChI=1S/C12H10N4O2/c13-5-9(4-10-6-14-8-16-10)12(17)15-7-11-2-1-3-18-11/h1-4,6,8H,7H2,(H,14,16)(H,15,17)/b9-4+
InChIKeyGROLJMUULWXBII-RUDMXATFSA-N
MW242.24 g/mol
LogP1.23
Rot. Bonds4

About (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide

(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide (PubChem CID 146025232) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide
PubChem CID146025232
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESN#C/C(=C\c1cnc[nH]1)C(=O)NCc1ccco1
InChIInChI=1S/C12H10N4O2/c13-5-9(4-10-6-14-8-16-10)12(17)15-7-11-2-1-3-18-11/h1-4,6,8H,7H2,(H,14,16)(H,15,17)/b9-4+
InChIKeyGROLJMUULWXBII-RUDMXATFSA-N
XLogP1.23
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3-[[[(Z)-2-cyano-3-(1H-imidazol-5-yl)prop-2-enoyl]amino]methyl]phenyl]methyl]-3-(1H-imidazol-5-yl)prop-2-enamide
CID 25017803
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
(E)-2-cyano-N-(furan-2-ylmethyl)-3-naphthalen-2-ylprop-2-enamide
CID 7480965
2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 2876439
2-cyano-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 789481
(Z)-3-(4-butoxyphenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 19175664
(E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 9333800
(E)-2-cyano-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 27718484
2-cyano-N-(furan-2-ylmethyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4963256
2-cyano-N-(furan-2-ylmethyl)-3-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]prop-2-enamide
CID 4617800
(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863327
2-cyano-N-(furan-2-ylmethyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enamide
CID 3138086

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide (CID 146025232) is (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide is N#C/C(=C\c1cnc[nH]1)C(=O)NCc1ccco1.
What is the InChIKey of (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide?
The InChIKey is GROLJMUULWXBII-RUDMXATFSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-5-9(4-10-6-14-8-16-10)12(17)15-7-11-2-1-3-18-11/h1-4,6,8H,7H2,(H,14,16)(H,15,17)/b9-4+.
What are the key properties of (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide?
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide has a molecular weight of 242.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)prop-2-enamide is sourced from PubChem (CID 146025232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).