1-(2-methoxyacetyl)cyclopropane-1-carbonitrile

C7H9NO2 — CID 25220869

IUPAC1-(2-methoxyacetyl)cyclopropane-1-carbonitrile
SMILESCOCC(=O)C1(C#N)CC1
InChIInChI=1S/C7H9NO2/c1-10-4-6(9)7(5-8)2-3-7/h2-4H2,1H3
InChIKeyPKNHTBBCTHWKIF-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.51
Rot. Bonds3

About 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile

1-(2-methoxyacetyl)cyclopropane-1-carbonitrile (PubChem CID 25220869) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyacetyl)cyclopropane-1-carbonitrile
PubChem CID25220869
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(2-methoxyacetyl)cyclopropane-1-carbonitrile
SMILESCOCC(=O)C1(C#N)CC1
InChIInChI=1S/C7H9NO2/c1-10-4-6(9)7(5-8)2-3-7/h2-4H2,1H3
InChIKeyPKNHTBBCTHWKIF-UHFFFAOYSA-N
XLogP0.51
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile (CID 25220869) is 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile is COCC(=O)C1(C#N)CC1.
What is the InChIKey of 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile?
The InChIKey is PKNHTBBCTHWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-10-4-6(9)7(5-8)2-3-7/h2-4H2,1H3.
What are the key properties of 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile?
1-(2-methoxyacetyl)cyclopropane-1-carbonitrile has a molecular weight of 139.15 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 25220869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).