1-acetylcyclopropane-1-carbonitrile

C6H7NO — CID 15178986

IUPAC1-acetylcyclopropane-1-carbonitrile
SMILESCC(=O)C1(C#N)CC1
InChIInChI=1S/C6H7NO/c1-5(8)6(4-7)2-3-6/h2-3H2,1H3
InChIKeyFYHTVDJPKASMMU-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.88
Rot. Bonds1

About 1-acetylcyclopropane-1-carbonitrile

1-acetylcyclopropane-1-carbonitrile (PubChem CID 15178986) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-acetylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-acetylcyclopropane-1-carbonitrile
PubChem CID15178986
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name1-acetylcyclopropane-1-carbonitrile
SMILESCC(=O)C1(C#N)CC1
InChIInChI=1S/C6H7NO/c1-5(8)6(4-7)2-3-6/h2-3H2,1H3
InChIKeyFYHTVDJPKASMMU-UHFFFAOYSA-N
XLogP0.88
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetylcyclopropane-1-carbonitrile?
The IUPAC name of 1-acetylcyclopropane-1-carbonitrile (CID 15178986) is 1-acetylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-acetylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-acetylcyclopropane-1-carbonitrile is CC(=O)C1(C#N)CC1.
What is the InChIKey of 1-acetylcyclopropane-1-carbonitrile?
The InChIKey is FYHTVDJPKASMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5(8)6(4-7)2-3-6/h2-3H2,1H3.
What are the key properties of 1-acetylcyclopropane-1-carbonitrile?
1-acetylcyclopropane-1-carbonitrile has a molecular weight of 109.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylcyclopropane-1-carbonitrile is sourced from PubChem (CID 15178986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).