N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine

C13H14N4O3 — CID 126000121

IUPACN,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine
SMILESCN(C)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C13H14N4O3/c1-16(2)13-8-7-12(20-13)9-14-15-10-3-5-11(6-4-10)17(18)19/h3-9,15H,1-2H3/b14-9-
InChIKeyDMMFVEXOENOESX-ZROIWOOFSA-N
MW274.28 g/mol
LogP2.70
Rot. Bonds5

About N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine

N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine (PubChem CID 126000121) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine
PubChem CID126000121
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine
SMILESCN(C)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C13H14N4O3/c1-16(2)13-8-7-12(20-13)9-14-15-10-3-5-11(6-4-10)17(18)19/h3-9,15H,1-2H3/b14-9-
InChIKeyDMMFVEXOENOESX-ZROIWOOFSA-N
XLogP2.70
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.70
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

4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 2837615
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608
N-[(E)-butylideneamino]-4-nitroaniline
CID 11095804
4-nitro-N-[(4-propylsulfanylphenyl)methylideneamino]aniline
CID 110842146
6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-4-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 2860242
N-[(Z)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-nitroaniline
CID 126059475
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine?
The IUPAC name of N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine (CID 126000121) is N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine?
The canonical SMILES for N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine is CN(C)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine?
The InChIKey is DMMFVEXOENOESX-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-16(2)13-8-7-12(20-13)9-14-15-10-3-5-11(6-4-10)17(18)19/h3-9,15H,1-2H3/b14-9-.
What are the key properties of N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine?
N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine has a molecular weight of 274.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine is sourced from PubChem (CID 126000121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).