1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile

C11H17NO2 — CID 79131268

IUPAC1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C2(O)CCOC2)C1
InChIInChI=1S/C11H17NO2/c1-9-2-3-10(6-9,7-12)11(13)4-5-14-8-11/h9,13H,2-6,8H2,1H3
InChIKeyDJOPTUNJFOMFSC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.47
Rot. Bonds1

About 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile

1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile (PubChem CID 79131268) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile
PubChem CID79131268
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(C2(O)CCOC2)C1
InChIInChI=1S/C11H17NO2/c1-9-2-3-10(6-9,7-12)11(13)4-5-14-8-11/h9,13H,2-6,8H2,1H3
InChIKeyDJOPTUNJFOMFSC-UHFFFAOYSA-N
XLogP1.47
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile (CID 79131268) is 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile is CC1CCC(C#N)(C2(O)CCOC2)C1.
What is the InChIKey of 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile?
The InChIKey is DJOPTUNJFOMFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-2-3-10(6-9,7-12)11(13)4-5-14-8-11/h9,13H,2-6,8H2,1H3.
What are the key properties of 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile?
1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile has a molecular weight of 195.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 79131268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).