(E)-N-(1H-indazol-4-yl)but-2-enamide

C11H11N3O — CID 110470186

IUPAC(E)-N-(1H-indazol-4-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C11H11N3O/c1-2-4-11(15)13-9-5-3-6-10-8(9)7-12-14-10/h2-7H,1H3,(H,12,14)(H,13,15)/b4-2+
InChIKeyAJDOZGFOPXYWOZ-DUXPYHPUSA-N
MW201.23 g/mol
LogP2.08
Rot. Bonds2

About (E)-N-(1H-indazol-4-yl)but-2-enamide

(E)-N-(1H-indazol-4-yl)but-2-enamide (PubChem CID 110470186) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (E)-N-(1H-indazol-4-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1H-indazol-4-yl)but-2-enamide
PubChem CID110470186
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(E)-N-(1H-indazol-4-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C11H11N3O/c1-2-4-11(15)13-9-5-3-6-10-8(9)7-12-14-10/h2-7H,1H3,(H,12,14)(H,13,15)/b4-2+
InChIKeyAJDOZGFOPXYWOZ-DUXPYHPUSA-N
XLogP2.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1H-indazol-4-yl)but-2-enamide?
The IUPAC name of (E)-N-(1H-indazol-4-yl)but-2-enamide (CID 110470186) is (E)-N-(1H-indazol-4-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(1H-indazol-4-yl)but-2-enamide?
The canonical SMILES for (E)-N-(1H-indazol-4-yl)but-2-enamide is C/C=C/C(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of (E)-N-(1H-indazol-4-yl)but-2-enamide?
The InChIKey is AJDOZGFOPXYWOZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-4-11(15)13-9-5-3-6-10-8(9)7-12-14-10/h2-7H,1H3,(H,12,14)(H,13,15)/b4-2+.
What are the key properties of (E)-N-(1H-indazol-4-yl)but-2-enamide?
(E)-N-(1H-indazol-4-yl)but-2-enamide has a molecular weight of 201.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1H-indazol-4-yl)but-2-enamide is sourced from PubChem (CID 110470186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).