3-nitro-N-prop-2-enylbenzamide

C10H10N2O3 — CID 2832220

IUPAC3-nitro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O3/c1-2-6-11-10(13)8-4-3-5-9(7-8)12(14)15/h2-5,7H,1,6H2,(H,11,13)
InChIKeyUVHPFKJMRJSXSX-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.51
Rot. Bonds4

About 3-nitro-N-prop-2-enylbenzamide

3-nitro-N-prop-2-enylbenzamide (PubChem CID 2832220) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-nitro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-nitro-N-prop-2-enylbenzamide
PubChem CID2832220
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-nitro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O3/c1-2-6-11-10(13)8-4-3-5-9(7-8)12(14)15/h2-5,7H,1,6H2,(H,11,13)
InChIKeyUVHPFKJMRJSXSX-UHFFFAOYSA-N
XLogP1.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-benzyl-3-nitro(11C)benzamide
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2-chloro-5-nitro-N-prop-2-enylbenzamide
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3-bromo-N-[1-(3-nitrophenyl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
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CID 737682
N-[[2-(hydroxymethyl)phenyl]methyl]-3-nitrobenzamide
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2-[[4-[(3-nitrobenzoyl)amino]benzoyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-prop-2-enylbenzamide?
The IUPAC name of 3-nitro-N-prop-2-enylbenzamide (CID 2832220) is 3-nitro-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-nitro-N-prop-2-enylbenzamide?
The canonical SMILES for 3-nitro-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-prop-2-enylbenzamide?
The InChIKey is UVHPFKJMRJSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-6-11-10(13)8-4-3-5-9(7-8)12(14)15/h2-5,7H,1,6H2,(H,11,13).
What are the key properties of 3-nitro-N-prop-2-enylbenzamide?
3-nitro-N-prop-2-enylbenzamide has a molecular weight of 206.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-prop-2-enylbenzamide is sourced from PubChem (CID 2832220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).