1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile

C7H9NO — CID 125448984

IUPAC1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C[C@@H]2CO2)CC1
InChIInChI=1S/C7H9NO/c8-5-7(1-2-7)3-6-4-9-6/h6H,1-4H2/t6-/m1/s1
InChIKeyBUEBRHPDALUUME-ZCFIWIBFSA-N
MW123.15 g/mol
LogP1.08
Rot. Bonds2

About 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile

1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile (PubChem CID 125448984) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile
PubChem CID125448984
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C[C@@H]2CO2)CC1
InChIInChI=1S/C7H9NO/c8-5-7(1-2-7)3-6-4-9-6/h6H,1-4H2/t6-/m1/s1
InChIKeyBUEBRHPDALUUME-ZCFIWIBFSA-N
XLogP1.08
TPSA36.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.08
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 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile (CID 125448984) is 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile is N#CC1(C[C@@H]2CO2)CC1.
What is the InChIKey of 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile?
The InChIKey is BUEBRHPDALUUME-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO/c8-5-7(1-2-7)3-6-4-9-6/h6H,1-4H2/t6-/m1/s1.
What are the key properties of 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile?
1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile has a molecular weight of 123.15 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 125448984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).