2-(2-methoxycyclohexen-1-yl)propanenitrile

C10H15NO — CID 102251418

IUPAC2-(2-methoxycyclohexen-1-yl)propanenitrile
SMILESCOC1=C(C(C)C#N)CCCC1
InChIInChI=1S/C10H15NO/c1-8(7-11)9-5-3-4-6-10(9)12-2/h8H,3-6H2,1-2H3
InChIKeyMFDIMALMFZGVES-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.62
Rot. Bonds2

About 2-(2-methoxycyclohexen-1-yl)propanenitrile

2-(2-methoxycyclohexen-1-yl)propanenitrile (PubChem CID 102251418) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(2-methoxycyclohexen-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-methoxycyclohexen-1-yl)propanenitrile
PubChem CID102251418
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(2-methoxycyclohexen-1-yl)propanenitrile
SMILESCOC1=C(C(C)C#N)CCCC1
InChIInChI=1S/C10H15NO/c1-8(7-11)9-5-3-4-6-10(9)12-2/h8H,3-6H2,1-2H3
InChIKeyMFDIMALMFZGVES-UHFFFAOYSA-N
XLogP2.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxycyclohexen-1-yl)propanenitrile?
The IUPAC name of 2-(2-methoxycyclohexen-1-yl)propanenitrile (CID 102251418) is 2-(2-methoxycyclohexen-1-yl)propanenitrile.
What is the SMILES notation for 2-(2-methoxycyclohexen-1-yl)propanenitrile?
The canonical SMILES for 2-(2-methoxycyclohexen-1-yl)propanenitrile is COC1=C(C(C)C#N)CCCC1.
What is the InChIKey of 2-(2-methoxycyclohexen-1-yl)propanenitrile?
The InChIKey is MFDIMALMFZGVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(7-11)9-5-3-4-6-10(9)12-2/h8H,3-6H2,1-2H3.
What are the key properties of 2-(2-methoxycyclohexen-1-yl)propanenitrile?
2-(2-methoxycyclohexen-1-yl)propanenitrile has a molecular weight of 165.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycyclohexen-1-yl)propanenitrile is sourced from PubChem (CID 102251418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).