(E)-2-cyano-3-(furan-2-yl)prop-2-enamide

C8H6N2O2 — CID 870752

IUPAC(E)-2-cyano-3-(furan-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(N)=O
InChIInChI=1S/C8H6N2O2/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4+
InChIKeyKWNPZKPESLVGOB-GQCTYLIASA-N
MW162.15 g/mol
LogP0.67
Rot. Bonds2

About (E)-2-cyano-3-(furan-2-yl)prop-2-enamide

(E)-2-cyano-3-(furan-2-yl)prop-2-enamide (PubChem CID 870752) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is (E)-2-cyano-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(furan-2-yl)prop-2-enamide
PubChem CID870752
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name(E)-2-cyano-3-(furan-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(N)=O
InChIInChI=1S/C8H6N2O2/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4+
InChIKeyKWNPZKPESLVGOB-GQCTYLIASA-N
XLogP0.67
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.67
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(furan-2-yl)prop-2-enamide (CID 870752) is (E)-2-cyano-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(furan-2-yl)prop-2-enamide is N#C/C(=C\c1ccco1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(furan-2-yl)prop-2-enamide?
The InChIKey is KWNPZKPESLVGOB-GQCTYLIASA-N. The full InChI is InChI=1S/C8H6N2O2/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4+.
What are the key properties of (E)-2-cyano-3-(furan-2-yl)prop-2-enamide?
(E)-2-cyano-3-(furan-2-yl)prop-2-enamide has a molecular weight of 162.15 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 870752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).