(E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide

C15H10N4O2 — CID 78341197

IUPAC(E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cccc3[nH]ncc23)o1)C(N)=O
InChIInChI=1S/C15H10N4O2/c16-7-9(15(17)20)6-10-4-5-14(21-10)11-2-1-3-13-12(11)8-18-19-13/h1-6,8H,(H2,17,20)(H,18,19)/b9-6+
InChIKeyYGNNHBHCRGHZDD-RMKNXTFCSA-N
MW278.27 g/mol
LogP2.22
Rot. Bonds3

About (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide

(E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide (PubChem CID 78341197) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide
PubChem CID78341197
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name(E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cccc3[nH]ncc23)o1)C(N)=O
InChIInChI=1S/C15H10N4O2/c16-7-9(15(17)20)6-10-4-5-14(21-10)11-2-1-3-13-12(11)8-18-19-13/h1-6,8H,(H2,17,20)(H,18,19)/b9-6+
InChIKeyYGNNHBHCRGHZDD-RMKNXTFCSA-N
XLogP2.22
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide (CID 78341197) is (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide is N#C/C(=C\c1ccc(-c2cccc3[nH]ncc23)o1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide?
The InChIKey is YGNNHBHCRGHZDD-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H10N4O2/c16-7-9(15(17)20)6-10-4-5-14(21-10)11-2-1-3-13-12(11)8-18-19-13/h1-6,8H,(H2,17,20)(H,18,19)/b9-6+.
What are the key properties of (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide?
(E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide has a molecular weight of 278.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(1H-indazol-4-yl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 78341197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).