1-methoxycyclopropane-1-carbonitrile

C5H7NO — CID 103439991

IUPAC1-methoxycyclopropane-1-carbonitrile
SMILESCOC1(C#N)CC1
InChIInChI=1S/C5H7NO/c1-7-5(4-6)2-3-5/h2-3H2,1H3
InChIKeyNLTMEHUHNURKRG-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.69
Rot. Bonds1

About 1-methoxycyclopropane-1-carbonitrile

1-methoxycyclopropane-1-carbonitrile (PubChem CID 103439991) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-methoxycyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-methoxycyclopropane-1-carbonitrile
PubChem CID103439991
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name1-methoxycyclopropane-1-carbonitrile
SMILESCOC1(C#N)CC1
InChIInChI=1S/C5H7NO/c1-7-5(4-6)2-3-5/h2-3H2,1H3
InChIKeyNLTMEHUHNURKRG-UHFFFAOYSA-N
XLogP0.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxycyclopropane-1-carbonitrile?
The IUPAC name of 1-methoxycyclopropane-1-carbonitrile (CID 103439991) is 1-methoxycyclopropane-1-carbonitrile.
What is the SMILES notation for 1-methoxycyclopropane-1-carbonitrile?
The canonical SMILES for 1-methoxycyclopropane-1-carbonitrile is COC1(C#N)CC1.
What is the InChIKey of 1-methoxycyclopropane-1-carbonitrile?
The InChIKey is NLTMEHUHNURKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-7-5(4-6)2-3-5/h2-3H2,1H3.
What are the key properties of 1-methoxycyclopropane-1-carbonitrile?
1-methoxycyclopropane-1-carbonitrile has a molecular weight of 97.12 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycyclopropane-1-carbonitrile is sourced from PubChem (CID 103439991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).