2-(1-ethoxycyclopropyl)acetonitrile

C7H11NO — CID 55267644

IUPAC2-(1-ethoxycyclopropyl)acetonitrile
SMILESCCOC1(CC#N)CC1
InChIInChI=1S/C7H11NO/c1-2-9-7(3-4-7)5-6-8/h2-5H2,1H3
InChIKeyUZAPZLMBOZBGRW-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.47
Rot. Bonds3

About 2-(1-ethoxycyclopropyl)acetonitrile

2-(1-ethoxycyclopropyl)acetonitrile (PubChem CID 55267644) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(1-ethoxycyclopropyl)acetonitrile.

Molecular Properties

Compound Name2-(1-ethoxycyclopropyl)acetonitrile
PubChem CID55267644
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(1-ethoxycyclopropyl)acetonitrile
SMILESCCOC1(CC#N)CC1
InChIInChI=1S/C7H11NO/c1-2-9-7(3-4-7)5-6-8/h2-5H2,1H3
InChIKeyUZAPZLMBOZBGRW-UHFFFAOYSA-N
XLogP1.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopropyl)acetonitrile?
The IUPAC name of 2-(1-ethoxycyclopropyl)acetonitrile (CID 55267644) is 2-(1-ethoxycyclopropyl)acetonitrile.
What is the SMILES notation for 2-(1-ethoxycyclopropyl)acetonitrile?
The canonical SMILES for 2-(1-ethoxycyclopropyl)acetonitrile is CCOC1(CC#N)CC1.
What is the InChIKey of 2-(1-ethoxycyclopropyl)acetonitrile?
The InChIKey is UZAPZLMBOZBGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-9-7(3-4-7)5-6-8/h2-5H2,1H3.
What are the key properties of 2-(1-ethoxycyclopropyl)acetonitrile?
2-(1-ethoxycyclopropyl)acetonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopropyl)acetonitrile is sourced from PubChem (CID 55267644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).