N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline

C11H13N3O2 — CID 6326525

IUPACN-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline
SMILESC/C(=N\Nc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H13N3O2/c1-8(9-6-7-9)12-13-10-4-2-3-5-11(10)14(15)16/h2-5,9,13H,6-7H2,1H3/b12-8+
InChIKeyRVMJZDOKOJNHOB-XYOKQWHBSA-N
MW219.24 g/mol
LogP2.79
Rot. Bonds4

About N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline

N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline (PubChem CID 6326525) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline.

Molecular Properties

Compound NameN-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline
PubChem CID6326525
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline
SMILESC/C(=N\Nc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H13N3O2/c1-8(9-6-7-9)12-13-10-4-2-3-5-11(10)14(15)16/h2-5,9,13H,6-7H2,1H3/b12-8+
InChIKeyRVMJZDOKOJNHOB-XYOKQWHBSA-N
XLogP2.79
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-3-methylbutan-2-ylideneamino]-2-nitroaniline
CID 12591072
2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
CID 9059014
methyl N-(2-nitrophenyl)propanehydrazonate
CID 27210078
2-[(Z)-C-methyl-N-(2-nitroanilino)carbonimidoyl]phenol
CID 135403129
2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
CID 6132206
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]benzene-1,3-diol;hydrate
CID 139083211
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-nitroaniline
CID 9059152
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
CID 9059030
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
2-nitro-N-[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 6006376
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol
CID 135716763
methyl 2-cyano-2-[(2-nitrophenyl)hydrazinylidene]acetate
CID 4737671

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline?
The IUPAC name of N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline (CID 6326525) is N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline.
What is the SMILES notation for N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline?
The canonical SMILES for N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline is C/C(=N\Nc1ccccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline?
The InChIKey is RVMJZDOKOJNHOB-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(9-6-7-9)12-13-10-4-2-3-5-11(10)14(15)16/h2-5,9,13H,6-7H2,1H3/b12-8+.
What are the key properties of N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline?
N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline has a molecular weight of 219.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline is sourced from PubChem (CID 6326525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).