N-(2-methyl-5-nitrophenyl)ethanimine

C9H10N2O2 — CID 52920639

IUPACN-(2-methyl-5-nitrophenyl)ethanimine
SMILESC/C=N/c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C9H10N2O2/c1-3-10-9-6-8(11(12)13)5-4-7(9)2/h3-6H,1-2H3/b10-3+
InChIKeyPPKSIYXLZBWGKP-XCVCLJGOSA-N
MW178.19 g/mol
LogP2.63
Rot. Bonds2

About N-(2-methyl-5-nitrophenyl)ethanimine

N-(2-methyl-5-nitrophenyl)ethanimine (PubChem CID 52920639) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)ethanimine.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)ethanimine
PubChem CID52920639
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-(2-methyl-5-nitrophenyl)ethanimine
SMILESC/C=N/c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C9H10N2O2/c1-3-10-9-6-8(11(12)13)5-4-7(9)2/h3-6H,1-2H3/b10-3+
InChIKeyPPKSIYXLZBWGKP-XCVCLJGOSA-N
XLogP2.63
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2-methyl-5-nitrophenyl)iminomethyl]benzonitrile
CID 622181
2-(2-methyl-5-nitrophenyl)guanidine
CID 11528992
1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine
CID 932242
ethane;2-(2-methyl-5-nitrophenyl)guanidine
CID 166467852
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methylbenzoic acid
CID 137085922
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045
N,N-dihydroxy-2-methyl-5-nitroaniline
CID 87329382
CID 174757863
CID 174757863
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)ethanimine?
The IUPAC name of N-(2-methyl-5-nitrophenyl)ethanimine (CID 52920639) is N-(2-methyl-5-nitrophenyl)ethanimine.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)ethanimine?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)ethanimine is C/C=N/c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)ethanimine?
The InChIKey is PPKSIYXLZBWGKP-XCVCLJGOSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-10-9-6-8(11(12)13)5-4-7(9)2/h3-6H,1-2H3/b10-3+.
What are the key properties of N-(2-methyl-5-nitrophenyl)ethanimine?
N-(2-methyl-5-nitrophenyl)ethanimine has a molecular weight of 178.19 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)ethanimine is sourced from PubChem (CID 52920639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).