2-nitro-N-phenyl-N-prop-2-enylaniline

C15H14N2O2 — CID 10967040

IUPAC2-nitro-N-phenyl-N-prop-2-enylaniline
SMILESC=CCN(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O2/c1-2-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(18)19/h2-11H,1,12H2
InChIKeyJOWXUWKGEWNHQM-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.92
Rot. Bonds5

About 2-nitro-N-phenyl-N-prop-2-enylaniline

2-nitro-N-phenyl-N-prop-2-enylaniline (PubChem CID 10967040) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-nitro-N-phenyl-N-prop-2-enylaniline.

Molecular Properties

Compound Name2-nitro-N-phenyl-N-prop-2-enylaniline
PubChem CID10967040
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-nitro-N-phenyl-N-prop-2-enylaniline
SMILESC=CCN(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O2/c1-2-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(18)19/h2-11H,1,12H2
InChIKeyJOWXUWKGEWNHQM-UHFFFAOYSA-N
XLogP3.92
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
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

3-(2-nitro-N-prop-2-enylanilino)propanoic acid
CID 121010017
2-nitro-N-phenyl-N-prop-2-enylbenzamide
CID 11482940
2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide
CID 78812401
2,4-dinitro-N-phenyl-N-prop-2-enyl-6-(trifluoromethyl)aniline
CID 88624844
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
1,2-dinitrobenzene;N,N-diphenylaniline
CID 174468566
N,N-dichloro-2-nitroaniline
CID 13272655
3-[bis(prop-2-enyl)amino]-4-nitrobenzoic acid
CID 82784357
2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
CID 103800385
N-chloro-2,3-dinitro-N-phenylaniline
CID 174493195
N-methyl-N-(2-nitrophenyl)methanesulfonamide
CID 13314625
3-(N-ethylanilino)-4-nitrobenzoic acid
CID 82769870

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-phenyl-N-prop-2-enylaniline?
The IUPAC name of 2-nitro-N-phenyl-N-prop-2-enylaniline (CID 10967040) is 2-nitro-N-phenyl-N-prop-2-enylaniline.
What is the SMILES notation for 2-nitro-N-phenyl-N-prop-2-enylaniline?
The canonical SMILES for 2-nitro-N-phenyl-N-prop-2-enylaniline is C=CCN(c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-phenyl-N-prop-2-enylaniline?
The InChIKey is JOWXUWKGEWNHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(18)19/h2-11H,1,12H2.
What are the key properties of 2-nitro-N-phenyl-N-prop-2-enylaniline?
2-nitro-N-phenyl-N-prop-2-enylaniline has a molecular weight of 254.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-phenyl-N-prop-2-enylaniline is sourced from PubChem (CID 10967040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).