1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile

C12H19NO — CID 65376179

IUPAC1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CCC2CCCO2)CCCC1
InChIInChI=1S/C12H19NO/c13-10-12(6-1-2-7-12)8-5-11-4-3-9-14-11/h11H,1-9H2
InChIKeyPFKZJZWOVFXUQZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.03
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile

1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 65376179) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID65376179
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CCC2CCCO2)CCCC1
InChIInChI=1S/C12H19NO/c13-10-12(6-1-2-7-12)8-5-11-4-3-9-14-11/h11H,1-9H2
InChIKeyPFKZJZWOVFXUQZ-UHFFFAOYSA-N
XLogP3.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile (CID 65376179) is 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile is N#CC1(CCC2CCCO2)CCCC1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is PFKZJZWOVFXUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-10-12(6-1-2-7-12)8-5-11-4-3-9-14-11/h11H,1-9H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile?
1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 65376179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).