2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile

C10H13NO2 — CID 141248830

IUPAC2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile
SMILESN#CCC1(C2CCCC2)OC=CO1
InChIInChI=1S/C10H13NO2/c11-6-5-10(12-7-8-13-10)9-3-1-2-4-9/h7-9H,1-5H2
InChIKeyZXCRJFODCDMUJP-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.30
Rot. Bonds2

About 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile

2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile (PubChem CID 141248830) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile
PubChem CID141248830
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile
SMILESN#CCC1(C2CCCC2)OC=CO1
InChIInChI=1S/C10H13NO2/c11-6-5-10(12-7-8-13-10)9-3-1-2-4-9/h7-9H,1-5H2
InChIKeyZXCRJFODCDMUJP-UHFFFAOYSA-N
XLogP2.30
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-methyl-1-oxaspiro[4.4]nonan-2-yl)acetonitrile
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2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile
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1-cyclopentylcyclopentane-1-carbonitrile
CID 130513545
2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile
CID 15391167
2-(2-tert-butyl-1-hydroxycyclohexyl)acetonitrile
CID 79118971
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile
CID 126988793
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]propanenitrile
CID 102731792
2-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)acetonitrile
CID 171953045
2-(1,2-dihydroxycyclopentyl)acetonitrile
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4-(2-cyclohexyl-1,3-dioxolan-2-yl)-2-phenylbutanenitrile;N-methylmethanamine
CID 67828273

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile?
The IUPAC name of 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile (CID 141248830) is 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile?
The canonical SMILES for 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile is N#CCC1(C2CCCC2)OC=CO1.
What is the InChIKey of 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile?
The InChIKey is ZXCRJFODCDMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-6-5-10(12-7-8-13-10)9-3-1-2-4-9/h7-9H,1-5H2.
What are the key properties of 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile?
2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile has a molecular weight of 179.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-1,3-dioxol-2-yl)acetonitrile is sourced from PubChem (CID 141248830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).