4-(7-nitro-2H-indazol-3-yl)but-3-enamide

C11H10N4O3 — CID 170798723

IUPAC4-(7-nitro-2H-indazol-3-yl)but-3-enamide
SMILESNC(=O)CC=Cc1[nH]nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C11H10N4O3/c12-10(16)6-2-4-8-7-3-1-5-9(15(17)18)11(7)14-13-8/h1-5H,6H2,(H2,12,16)(H,13,14)
InChIKeyBUHXYHPCZGVREC-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.36
Rot. Bonds4

About 4-(7-nitro-2H-indazol-3-yl)but-3-enamide

4-(7-nitro-2H-indazol-3-yl)but-3-enamide (PubChem CID 170798723) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-(7-nitro-2H-indazol-3-yl)but-3-enamide.

Molecular Properties

Compound Name4-(7-nitro-2H-indazol-3-yl)but-3-enamide
PubChem CID170798723
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name4-(7-nitro-2H-indazol-3-yl)but-3-enamide
SMILESNC(=O)CC=Cc1[nH]nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C11H10N4O3/c12-10(16)6-2-4-8-7-3-1-5-9(15(17)18)11(7)14-13-8/h1-5H,6H2,(H2,12,16)(H,13,14)
InChIKeyBUHXYHPCZGVREC-UHFFFAOYSA-N
XLogP1.36
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(7-nitro-2H-indazol-3-yl)but-3-enoic acid
CID 170484352
3-(7-nitro-2H-indazol-3-yl)prop-2-en-1-ol
CID 169454030
N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide
CID 169466269
9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate
CID 169470373
ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol
CID 170818682
4-(3-fluoro-2-nitrophenyl)but-3-enamide
CID 170798325
4-(3-amino-2-nitrophenyl)but-3-enamide
CID 170798265
4-(2-hydroxy-3-nitrophenyl)but-3-enoic acid
CID 170484016
4-anthracen-9-ylbut-3-enamide
CID 170798903
1-(4-chlorophenyl)-1-(7-nitro-2H-indazol-3-yl)propan-1-amine
CID 70911848
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378

Frequently Asked Questions

What is the IUPAC name of 4-(7-nitro-2H-indazol-3-yl)but-3-enamide?
The IUPAC name of 4-(7-nitro-2H-indazol-3-yl)but-3-enamide (CID 170798723) is 4-(7-nitro-2H-indazol-3-yl)but-3-enamide.
What is the SMILES notation for 4-(7-nitro-2H-indazol-3-yl)but-3-enamide?
The canonical SMILES for 4-(7-nitro-2H-indazol-3-yl)but-3-enamide is NC(=O)CC=Cc1[nH]nc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 4-(7-nitro-2H-indazol-3-yl)but-3-enamide?
The InChIKey is BUHXYHPCZGVREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-10(16)6-2-4-8-7-3-1-5-9(15(17)18)11(7)14-13-8/h1-5H,6H2,(H2,12,16)(H,13,14).
What are the key properties of 4-(7-nitro-2H-indazol-3-yl)but-3-enamide?
4-(7-nitro-2H-indazol-3-yl)but-3-enamide has a molecular weight of 246.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-nitro-2H-indazol-3-yl)but-3-enamide is sourced from PubChem (CID 170798723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).