1-(oxiran-2-yl)propan-1-imine

C5H9NO — CID 123940754

IUPAC1-(oxiran-2-yl)propan-1-imine
SMILES[H]/N=C(\CC)C1CO1
InChIInChI=1S/C5H9NO/c1-2-4(6)5-3-7-5/h5-6H,2-3H2,1H3/b6-4+
InChIKeyFOUDWDOGKGCQRN-GQCTYLIASA-N
MW99.13 g/mol
LogP0.81
Rot. Bonds2

About 1-(oxiran-2-yl)propan-1-imine

1-(oxiran-2-yl)propan-1-imine (PubChem CID 123940754) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-(oxiran-2-yl)propan-1-imine.

Molecular Properties

Compound Name1-(oxiran-2-yl)propan-1-imine
PubChem CID123940754
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-(oxiran-2-yl)propan-1-imine
SMILES[H]/N=C(\CC)C1CO1
InChIInChI=1S/C5H9NO/c1-2-4(6)5-3-7-5/h5-6H,2-3H2,1H3/b6-4+
InChIKeyFOUDWDOGKGCQRN-GQCTYLIASA-N
XLogP0.81
TPSA36.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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
1-(3-Methyloxiran-2-yl)ethanimine
CID 90929945
(3R)-3-methoxybutan-2-imine
CID 123182755
2-Methoxypentan-3-imine
CID 123395422
3-Ethyloxiran-2-imine
CID 123411289
2-Methyl-1-(3-methyloxiran-2-yl)propan-1-imine
CID 123629850
2-Ethoxypentan-3-imine
CID 123646802
1-Methoxypentane-2,4-diimine
CID 138709464
(3S)-3-methoxypentan-2-imine
CID 141961400
4-Methoxypentan-2-imine
CID 153685632
(5S)-5-methoxyhexan-2-imine
CID 163644460

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-yl)propan-1-imine?
The IUPAC name of 1-(oxiran-2-yl)propan-1-imine (CID 123940754) is 1-(oxiran-2-yl)propan-1-imine.
What is the SMILES notation for 1-(oxiran-2-yl)propan-1-imine?
The canonical SMILES for 1-(oxiran-2-yl)propan-1-imine is [H]/N=C(\CC)C1CO1.
What is the InChIKey of 1-(oxiran-2-yl)propan-1-imine?
The InChIKey is FOUDWDOGKGCQRN-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO/c1-2-4(6)5-3-7-5/h5-6H,2-3H2,1H3/b6-4+.
What are the key properties of 1-(oxiran-2-yl)propan-1-imine?
1-(oxiran-2-yl)propan-1-imine has a molecular weight of 99.13 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)propan-1-imine is sourced from PubChem (CID 123940754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).