4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile

C15H9N5O2 — CID 51138518

IUPAC4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(/C=N/Nc2ccccc2)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C15H9N5O2/c16-8-11-6-13(15(20(21)22)7-12(11)9-17)10-18-19-14-4-2-1-3-5-14/h1-7,10,19H/b18-10+
InChIKeyIMNXFEIMFQOIHT-VCHYOVAHSA-N
MW291.27 g/mol
LogP2.78
Rot. Bonds4

About 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile

4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile (PubChem CID 51138518) has the molecular formula C15H9N5O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile
PubChem CID51138518
Molecular FormulaC15H9N5O2
Molecular Weight291.27 g/mol
Exact Mass291.08
IUPAC Name4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1cc(/C=N/Nc2ccccc2)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C15H9N5O2/c16-8-11-6-13(15(20(21)22)7-12(11)9-17)10-18-19-14-4-2-1-3-5-14/h1-7,10,19H/b18-10+
InChIKeyIMNXFEIMFQOIHT-VCHYOVAHSA-N
XLogP2.78
TPSA115.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(2-iodo-3-nitrophenyl)methylideneamino]aniline
CID 169383782
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
CID 169384053
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
2-bromo-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 139061463
2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol
CID 169383722
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluoroaniline
CID 9076217
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 13082265
2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169384043
[4-[[4-benzoyloxy-3-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl]methyl]-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] benzoate
CID 56696784

Frequently Asked Questions

What is the IUPAC name of 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile (CID 51138518) is 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile is N#Cc1cc(/C=N/Nc2ccccc2)c([N+](=O)[O-])cc1C#N.
What is the InChIKey of 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile?
The InChIKey is IMNXFEIMFQOIHT-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H9N5O2/c16-8-11-6-13(15(20(21)22)7-12(11)9-17)10-18-19-14-4-2-1-3-5-14/h1-7,10,19H/b18-10+.
What are the key properties of 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile?
4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile has a molecular weight of 291.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 51138518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).