(E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide

C11H8N4O — CID 52938511

IUPAC(E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc2[nH]ncc2c1)C(N)=O
InChIInChI=1S/C11H8N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-4,6H,(H2,13,16)(H,14,15)/b8-3+
InChIKeyJIMIDTDLZHFIJW-FPYGCLRLSA-N
MW212.21 g/mol
LogP0.96
Rot. Bonds2

About (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide

(E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide (PubChem CID 52938511) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide
PubChem CID52938511
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name(E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc2[nH]ncc2c1)C(N)=O
InChIInChI=1S/C11H8N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-4,6H,(H2,13,16)(H,14,15)/b8-3+
InChIKeyJIMIDTDLZHFIJW-FPYGCLRLSA-N
XLogP0.96
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.96
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide (CID 52938511) is (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide is N#C/C(=C\c1ccc2[nH]ncc2c1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide?
The InChIKey is JIMIDTDLZHFIJW-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H8N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-4,6H,(H2,13,16)(H,14,15)/b8-3+.
What are the key properties of (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide?
(E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide has a molecular weight of 212.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(1H-indazol-5-yl)prop-2-enamide is sourced from PubChem (CID 52938511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).