3-(3-methoxyphenyl)-3-methyldiaziridine

C9H12N2O — CID 167685636

IUPAC3-(3-methoxyphenyl)-3-methyldiaziridine
SMILESCOc1cccc(C2(C)NN2)c1
InChIInChI=1S/C9H12N2O/c1-9(10-11-9)7-4-3-5-8(6-7)12-2/h3-6,10-11H,1-2H3
InChIKeyXFTKBDAWHCRYLB-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.98
Rot. Bonds2

About 3-(3-methoxyphenyl)-3-methyldiaziridine

3-(3-methoxyphenyl)-3-methyldiaziridine (PubChem CID 167685636) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-3-methyldiaziridine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-3-methyldiaziridine
PubChem CID167685636
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(3-methoxyphenyl)-3-methyldiaziridine
SMILESCOc1cccc(C2(C)NN2)c1
InChIInChI=1S/C9H12N2O/c1-9(10-11-9)7-4-3-5-8(6-7)12-2/h3-6,10-11H,1-2H3
InChIKeyXFTKBDAWHCRYLB-UHFFFAOYSA-N
XLogP0.98
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
CID 115035973
4-(3-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458750
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
calcium;1,3-dimethoxybenzene;hydride
CID 174808068

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-3-methyldiaziridine?
The IUPAC name of 3-(3-methoxyphenyl)-3-methyldiaziridine (CID 167685636) is 3-(3-methoxyphenyl)-3-methyldiaziridine.
What is the SMILES notation for 3-(3-methoxyphenyl)-3-methyldiaziridine?
The canonical SMILES for 3-(3-methoxyphenyl)-3-methyldiaziridine is COc1cccc(C2(C)NN2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-3-methyldiaziridine?
The InChIKey is XFTKBDAWHCRYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-9(10-11-9)7-4-3-5-8(6-7)12-2/h3-6,10-11H,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-3-methyldiaziridine?
3-(3-methoxyphenyl)-3-methyldiaziridine has a molecular weight of 164.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-3-methyldiaziridine is sourced from PubChem (CID 167685636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).