N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline

C10H10N4O4 — CID 14950104

IUPACN-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C/C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O4/c15-13(16)8-3-4-9(10(5-8)14(17)18)12-11-6-7-1-2-7/h3-7,12H,1-2H2/b11-6+
InChIKeyKLFFBICVWINPAQ-IZZDOVSWSA-N
MW250.21 g/mol
LogP2.31
Rot. Bonds5

About N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline

N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline (PubChem CID 14950104) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline
PubChem CID14950104
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC NameN-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C/C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O4/c15-13(16)8-3-4-9(10(5-8)14(17)18)12-11-6-7-1-2-7/h3-7,12H,1-2H2/b11-6+
InChIKeyKLFFBICVWINPAQ-IZZDOVSWSA-N
XLogP2.31
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.31
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-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2,4-dinitroaniline
CID 7302065
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]cyclohexane-1-carboxylic acid
CID 54612165
2,4-dinitro-N-[(2-phenyloxolan-3-yl)methylideneamino]aniline
CID 3604194
N-[(E)-3-aminopropylideneamino]-2,4-dinitroaniline
CID 22462640
N-[(3-cyclohexyl-2-methylprop-2-enylidene)amino]-2,4-dinitroaniline
CID 3312139
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
N-[[2-[1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-yl]-5-methylcyclopentyl]methylideneamino]-2,4-dinitroaniline
CID 132993789
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
2,4-dinitro-N-(penta-3,4-dienylideneamino)aniline
CID 131855224
N-[(E)-[(1S,6S)-6-methyl-4-propan-2-ylcyclohex-3-en-1-yl]methylideneamino]-2,4-dinitroaniline
CID 177384712
N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline
CID 22764781
(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid
CID 15107201

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline?
The IUPAC name of N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline (CID 14950104) is N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline.
What is the SMILES notation for N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline?
The canonical SMILES for N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline is O=[N+]([O-])c1ccc(N/N=C/C2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline?
The InChIKey is KLFFBICVWINPAQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-13(16)8-3-4-9(10(5-8)14(17)18)12-11-6-7-1-2-7/h3-7,12H,1-2H2/b11-6+.
What are the key properties of N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline?
N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline has a molecular weight of 250.21 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline is sourced from PubChem (CID 14950104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).