3-(3-nitrophenyl)prop-2-enamide

C9H8N2O3 — CID 692292

IUPAC3-(3-nitrophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H8N2O3/c10-9(12)5-4-7-2-1-3-8(6-7)11(13)14/h1-6H,(H2,10,12)
InChIKeyQDGXIICOKBFSQX-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.09
Rot. Bonds3

About 3-(3-nitrophenyl)prop-2-enamide

3-(3-nitrophenyl)prop-2-enamide (PubChem CID 692292) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-nitrophenyl)prop-2-enamide
PubChem CID692292
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-(3-nitrophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H8N2O3/c10-9(12)5-4-7-2-1-3-8(6-7)11(13)14/h1-6H,(H2,10,12)
InChIKeyQDGXIICOKBFSQX-UHFFFAOYSA-N
XLogP1.09
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

N-(diaminomethylidene)-3-(3-nitrophenyl)prop-2-enamide
CID 69437134
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea
CID 102535057
4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperazine-1-carboxamide
CID 141126730
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;dihydrobromide
CID 131882350
3-(3-nitrophenyl)-1-(2,3,4,5,6-pentamethylphenyl)prop-2-en-1-one
CID 2776718
[4-[3-(3-nitrophenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(3-nitrophenyl)prop-2-enoate
CID 4573484
prop-2-enyl (E)-3-(3-nitrophenyl)prop-2-enoate
CID 15299253
1-(2-aminophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 72956833
(E)-1-(9H-fluoren-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 101015152
(1E,4Z)-2-methyl-5-(3-nitrophenyl)-1-phenylpenta-1,4-dien-3-one
CID 92900023
N,N-diethyl-3-(3-nitrophenyl)prop-2-enamide
CID 692295

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(3-nitrophenyl)prop-2-enamide (CID 692292) is 3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(3-nitrophenyl)prop-2-enamide is NC(=O)C=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is QDGXIICOKBFSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-9(12)5-4-7-2-1-3-8(6-7)11(13)14/h1-6H,(H2,10,12).
What are the key properties of 3-(3-nitrophenyl)prop-2-enamide?
3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 192.17 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 692292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).