N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline

C15H14N2O3 — CID 15365634

IUPACN-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline
SMILESCOc1ccccc1/C(=C/Nc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-20-15-10-6-5-9-13(15)14(17(18)19)11-16-12-7-3-2-4-8-12/h2-11,16H,1H3/b14-11-
InChIKeyXFBBTPZWJNEYIY-KAMYIIQDSA-N
MW270.29 g/mol
LogP3.38
Rot. Bonds5

About N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline

N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline (PubChem CID 15365634) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline.

Molecular Properties

Compound NameN-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline
PubChem CID15365634
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline
SMILESCOc1ccccc1/C(=C/Nc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-20-15-10-6-5-9-13(15)14(17(18)19)11-16-12-7-3-2-4-8-12/h2-11,16H,1H3/b14-11-
InChIKeyXFBBTPZWJNEYIY-KAMYIIQDSA-N
XLogP3.38
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
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

1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene
CID 154718283
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CID 1487291
methyl 2-[(E)-1-nitro-2-phenylethenyl]benzoate
CID 5380215
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(E)-2-hydroxy-1,2-bis(2-methoxyphenyl)ethenediazonium
CID 11022356
2-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 54099002
2-methoxybenzoate;hydrochloride
CID 18793456
ethane;methyl 2-methoxybenzoate
CID 178037044
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
(Z)-3-(4-anilinoanilino)-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 108852679
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline?
The IUPAC name of N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline (CID 15365634) is N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline.
What is the SMILES notation for N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline?
The canonical SMILES for N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline is COc1ccccc1/C(=C/Nc1ccccc1)[N+](=O)[O-].
What is the InChIKey of N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline?
The InChIKey is XFBBTPZWJNEYIY-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-15-10-6-5-9-13(15)14(17(18)19)11-16-12-7-3-2-4-8-12/h2-11,16H,1H3/b14-11-.
What are the key properties of N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline?
N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline has a molecular weight of 270.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(2-methoxyphenyl)-2-nitroethenyl]aniline is sourced from PubChem (CID 15365634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).