N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide

C12H12N4O3 — CID 169466269

IUPACN-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1[nH]nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C12H12N4O3/c1-8(17)13-7-3-5-10-9-4-2-6-11(16(18)19)12(9)15-14-10/h2-6H,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyZMEDSOQVMLVQIU-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.62
Rot. Bonds4

About N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide

N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide (PubChem CID 169466269) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide
PubChem CID169466269
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1[nH]nc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C12H12N4O3/c1-8(17)13-7-3-5-10-9-4-2-6-11(16(18)19)12(9)15-14-10/h2-6H,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyZMEDSOQVMLVQIU-UHFFFAOYSA-N
XLogP1.62
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.62
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
4-(7-nitro-2H-indazol-3-yl)but-3-enamide
CID 170798723
9H-fluoren-9-ylmethyl N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]carbamate
CID 169470373
N-[3-(2-methyl-6-nitrophenyl)prop-2-enyl]acetamide
CID 169465901
2-(3-acetamidoprop-1-enyl)-3-nitrobenzoic acid
CID 169466339
ethane;3-methyl-7-nitro-2H-indazole
CID 143766965
N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
CID 169465865
N-[3-(3-amino-2-nitrophenyl)prop-2-enyl]acetamide
CID 169465811
N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465794
N-(3-naphthalen-1-ylprop-2-enyl)acetamide
CID 169465612
1-(7-nitro-2H-indazol-3-yl)propane-1,2,3-triol
CID 170818682

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide (CID 169466269) is N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1[nH]nc2c([N+](=O)[O-])cccc12.
What is the InChIKey of N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide?
The InChIKey is ZMEDSOQVMLVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-8(17)13-7-3-5-10-9-4-2-6-11(16(18)19)12(9)15-14-10/h2-6H,7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide?
N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide has a molecular weight of 260.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-nitro-2H-indazol-3-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).