(E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide

C14H8N4O6 — CID 94844730

IUPAC(E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1)C(N)=O
InChIInChI=1S/C14H8N4O6/c15-7-9(14(16)19)5-12-1-2-13(24-12)8-3-10(17(20)21)6-11(4-8)18(22)23/h1-6H,(H2,16,19)/b9-5+
InChIKeyIPELSPSQZZPTIX-WEVVVXLNSA-N
MW328.24 g/mol
LogP2.16
Rot. Bonds5

About (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide

(E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 94844730) has the molecular formula C14H8N4O6 and a molecular weight of 328.24 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID94844730
Molecular FormulaC14H8N4O6
Molecular Weight328.24 g/mol
Exact Mass328.04
IUPAC Name(E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1)C(N)=O
InChIInChI=1S/C14H8N4O6/c15-7-9(14(16)19)5-12-1-2-13(24-12)8-3-10(17(20)21)6-11(4-8)18(22)23/h1-6H,(H2,16,19)/b9-5+
InChIKeyIPELSPSQZZPTIX-WEVVVXLNSA-N
XLogP2.16
TPSA166.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-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

(Z)-2-cyano-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 874044
(E)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 800289
(Z)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 799260
2-amino-4-[5-(4-nitrophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 4736035
(Z)-2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 874049
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 2866324
(E)-2-(4-methoxybenzoyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 8828860
2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 812283
2-cyano-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]prop-2-enethioamide
CID 2984226
2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 71952565
5-[5-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)furan-2-yl]benzene-1,3-dicarboxylic acid
CID 73380513

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide (CID 94844730) is (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide is N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is IPELSPSQZZPTIX-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H8N4O6/c15-7-9(14(16)19)5-12-1-2-13(24-12)8-3-10(17(20)21)6-11(4-8)18(22)23/h1-6H,(H2,16,19)/b9-5+.
What are the key properties of (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide?
(E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 328.24 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(3,5-dinitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 94844730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).