N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine

C10H11NO — CID 123733967

IUPACN-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine
SMILESC/N=C/c1ccc(C2CO2)cc1
InChIInChI=1S/C10H11NO/c1-11-6-8-2-4-9(5-3-8)10-7-12-10/h2-6,10H,7H2,1H3/b11-6+
InChIKeyCMPGMHQNHGBNOX-IZZDOVSWSA-N
MW161.20 g/mol
LogP1.81
Rot. Bonds2

About N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine

N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine (PubChem CID 123733967) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine
PubChem CID123733967
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC NameN-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine
SMILESC/N=C/c1ccc(C2CO2)cc1
InChIInChI=1S/C10H11NO/c1-11-6-8-2-4-9(5-3-8)10-7-12-10/h2-6,10H,7H2,1H3/b11-6+
InChIKeyCMPGMHQNHGBNOX-IZZDOVSWSA-N
XLogP1.81
TPSA24.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912
ethane;2-phenyloxirane
CID 54171856
2-(4-ethylphenyl)oxirane
CID 10374595
2-phenyloxirane
CID 7276
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane
CID 22838647
2-(4-cyclopenta-2,4-dien-1-ylphenyl)oxirane
CID 130210947
trimethoxy-[4-(oxiran-2-yl)phenyl]silane
CID 87194060
(2R)-2-(4-propan-2-yloxyphenyl)oxirane
CID 30071232
N,N-diethyl-4-[[3-methyl-4-[[4-[[4-(oxiran-2-yl)phenyl]methylideneamino]phenyl]diazenyl]phenyl]diazenyl]aniline
CID 88919689
2-[4-(bromomethyl)phenyl]oxirane
CID 91343317
(2S)-2-(3,4-dimethylphenyl)oxirane
CID 40580634

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine?
The IUPAC name of N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine (CID 123733967) is N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine.
What is the SMILES notation for N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine?
The canonical SMILES for N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine is C/N=C/c1ccc(C2CO2)cc1.
What is the InChIKey of N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine?
The InChIKey is CMPGMHQNHGBNOX-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-6-8-2-4-9(5-3-8)10-7-12-10/h2-6,10H,7H2,1H3/b11-6+.
What are the key properties of N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine?
N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine has a molecular weight of 161.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine is sourced from PubChem (CID 123733967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).