1-(3-methyloxiran-2-yl)ethanimine

C5H9NO — CID 90929945

IUPAC1-(3-methyloxiran-2-yl)ethanimine
SMILES[H]/N=C(\C)C1OC1C
InChIInChI=1S/C5H9NO/c1-3(6)5-4(2)7-5/h4-6H,1-2H3/b6-3+
InChIKeyAJRXJTDIDFRAOI-ZZXKWVIFSA-N
MW99.13 g/mol
LogP0.81
Rot. Bonds1

About 1-(3-methyloxiran-2-yl)ethanimine

1-(3-methyloxiran-2-yl)ethanimine (PubChem CID 90929945) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-(3-methyloxiran-2-yl)ethanimine.

Molecular Properties

Compound Name1-(3-methyloxiran-2-yl)ethanimine
PubChem CID90929945
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-(3-methyloxiran-2-yl)ethanimine
SMILES[H]/N=C(\C)C1OC1C
InChIInChI=1S/C5H9NO/c1-3(6)5-4(2)7-5/h4-6H,1-2H3/b6-3+
InChIKeyAJRXJTDIDFRAOI-ZZXKWVIFSA-N
XLogP0.81
TPSA36.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
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

1-(Oxiran-2-yl)butan-1-imine
CID 88487276
3-Methoxybutan-2-imine
CID 90191917
2-Ethoxycyclobutan-1-imine
CID 90996609
(Z)-1-(3-methyloxiran-2-yl)ethylidenehydrazine
CID 117903943
(3R)-3-methoxybutan-2-imine
CID 123182755
2-Methoxypentan-3-imine
CID 123395422
3-Ethyloxiran-2-imine
CID 123411289
1-Ethoxybutan-2-imine
CID 123509127
2-Methyl-1-(3-methyloxiran-2-yl)propan-1-imine
CID 123629850
2-Ethoxypentan-3-imine
CID 123646802
1-(Oxiran-2-yl)propan-1-imine
CID 123940754
1-Propan-2-yloxypropan-2-imine
CID 134536644

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxiran-2-yl)ethanimine?
The IUPAC name of 1-(3-methyloxiran-2-yl)ethanimine (CID 90929945) is 1-(3-methyloxiran-2-yl)ethanimine.
What is the SMILES notation for 1-(3-methyloxiran-2-yl)ethanimine?
The canonical SMILES for 1-(3-methyloxiran-2-yl)ethanimine is [H]/N=C(\C)C1OC1C.
What is the InChIKey of 1-(3-methyloxiran-2-yl)ethanimine?
The InChIKey is AJRXJTDIDFRAOI-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H9NO/c1-3(6)5-4(2)7-5/h4-6H,1-2H3/b6-3+.
What are the key properties of 1-(3-methyloxiran-2-yl)ethanimine?
1-(3-methyloxiran-2-yl)ethanimine has a molecular weight of 99.13 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxiran-2-yl)ethanimine is sourced from PubChem (CID 90929945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).