2-(1-methoxycyclopropyl)acetonitrile

C6H9NO — CID 146049032

IUPAC2-(1-methoxycyclopropyl)acetonitrile
SMILESCOC1(CC#N)CC1
InChIInChI=1S/C6H9NO/c1-8-6(2-3-6)4-5-7/h2-4H2,1H3
InChIKeyIDSMTFJZCYPNBY-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.08
Rot. Bonds2

About 2-(1-methoxycyclopropyl)acetonitrile

2-(1-methoxycyclopropyl)acetonitrile (PubChem CID 146049032) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-(1-methoxycyclopropyl)acetonitrile.

Molecular Properties

Compound Name2-(1-methoxycyclopropyl)acetonitrile
PubChem CID146049032
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-(1-methoxycyclopropyl)acetonitrile
SMILESCOC1(CC#N)CC1
InChIInChI=1S/C6H9NO/c1-8-6(2-3-6)4-5-7/h2-4H2,1H3
InChIKeyIDSMTFJZCYPNBY-UHFFFAOYSA-N
XLogP1.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopropyl)acetonitrile?
The IUPAC name of 2-(1-methoxycyclopropyl)acetonitrile (CID 146049032) is 2-(1-methoxycyclopropyl)acetonitrile.
What is the SMILES notation for 2-(1-methoxycyclopropyl)acetonitrile?
The canonical SMILES for 2-(1-methoxycyclopropyl)acetonitrile is COC1(CC#N)CC1.
What is the InChIKey of 2-(1-methoxycyclopropyl)acetonitrile?
The InChIKey is IDSMTFJZCYPNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-8-6(2-3-6)4-5-7/h2-4H2,1H3.
What are the key properties of 2-(1-methoxycyclopropyl)acetonitrile?
2-(1-methoxycyclopropyl)acetonitrile has a molecular weight of 111.14 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 2-(1-methoxycyclopropyl)acetonitrile is sourced from PubChem (CID 146049032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).