2-methyloxirane-2-carbonitrile

C4H5NO — CID 3015914

IUPAC2-methyloxirane-2-carbonitrile
SMILESCC1(C#N)CO1
InChIInChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3
InChIKeyLVEMNYRWPAJPPV-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.30
Rot. Bonds

About 2-methyloxirane-2-carbonitrile

2-methyloxirane-2-carbonitrile (PubChem CID 3015914) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is 2-methyloxirane-2-carbonitrile.

Molecular Properties

Compound Name2-methyloxirane-2-carbonitrile
PubChem CID3015914
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name2-methyloxirane-2-carbonitrile
SMILESCC1(C#N)CO1
InChIInChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3
InChIKeyLVEMNYRWPAJPPV-UHFFFAOYSA-N
XLogP0.30
TPSA36.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane-2-carbonitrile?
The IUPAC name of 2-methyloxirane-2-carbonitrile (CID 3015914) is 2-methyloxirane-2-carbonitrile.
What is the SMILES notation for 2-methyloxirane-2-carbonitrile?
The canonical SMILES for 2-methyloxirane-2-carbonitrile is CC1(C#N)CO1.
What is the InChIKey of 2-methyloxirane-2-carbonitrile?
The InChIKey is LVEMNYRWPAJPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3.
What are the key properties of 2-methyloxirane-2-carbonitrile?
2-methyloxirane-2-carbonitrile has a molecular weight of 83.09 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane-2-carbonitrile is sourced from PubChem (CID 3015914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).