2-(1,2-dihydroxycyclopentyl)acetonitrile

C7H11NO2 — CID 130142856

IUPAC2-(1,2-dihydroxycyclopentyl)acetonitrile
SMILESN#CCC1(O)CCCC1O
InChIInChI=1S/C7H11NO2/c8-5-4-7(10)3-1-2-6(7)9/h6,9-10H,1-4H2
InChIKeyOKUDHLUFYGHMRF-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.18
Rot. Bonds1

About 2-(1,2-dihydroxycyclopentyl)acetonitrile

2-(1,2-dihydroxycyclopentyl)acetonitrile (PubChem CID 130142856) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(1,2-dihydroxycyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(1,2-dihydroxycyclopentyl)acetonitrile
PubChem CID130142856
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(1,2-dihydroxycyclopentyl)acetonitrile
SMILESN#CCC1(O)CCCC1O
InChIInChI=1S/C7H11NO2/c8-5-4-7(10)3-1-2-6(7)9/h6,9-10H,1-4H2
InChIKeyOKUDHLUFYGHMRF-UHFFFAOYSA-N
XLogP0.18
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-1-hydroxycyclohexyl)acetonitrile
CID 79118971
2-(1-hydroxy-2,4-dimethylcyclohexyl)acetonitrile
CID 79118602
2-(2-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl)acetonitrile
CID 130871615
trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol
CID 130991462
2-(2-hydroxy-2-bicyclo[2.2.2]octanyl)acetonitrile
CID 15391167
1-propylcyclodecane-1,2-diol
CID 173377333
cyclopentane-1,1,2-triol
CID 19830380
2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile
CID 130848603
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
cis-(1S,2R)-1-ethylcyclobutane-1,2-diol
CID 102159302
(1S,2S,3R)-1-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 100932205
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxycyclopentyl)acetonitrile?
The IUPAC name of 2-(1,2-dihydroxycyclopentyl)acetonitrile (CID 130142856) is 2-(1,2-dihydroxycyclopentyl)acetonitrile.
What is the SMILES notation for 2-(1,2-dihydroxycyclopentyl)acetonitrile?
The canonical SMILES for 2-(1,2-dihydroxycyclopentyl)acetonitrile is N#CCC1(O)CCCC1O.
What is the InChIKey of 2-(1,2-dihydroxycyclopentyl)acetonitrile?
The InChIKey is OKUDHLUFYGHMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-5-4-7(10)3-1-2-6(7)9/h6,9-10H,1-4H2.
What are the key properties of 2-(1,2-dihydroxycyclopentyl)acetonitrile?
2-(1,2-dihydroxycyclopentyl)acetonitrile has a molecular weight of 141.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxycyclopentyl)acetonitrile is sourced from PubChem (CID 130142856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).