2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile

C10H15NO — CID 130848603

IUPAC2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile
SMILESN#CCC1(O)CCCC12CCC2
InChIInChI=1S/C10H15NO/c11-8-7-10(12)6-2-5-9(10)3-1-4-9/h12H,1-7H2
InChIKeyIVBVXVIQJHGTCW-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.99
Rot. Bonds1

About 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile

2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile (PubChem CID 130848603) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile.

Molecular Properties

Compound Name2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile
PubChem CID130848603
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile
SMILESN#CCC1(O)CCCC12CCC2
InChIInChI=1S/C10H15NO/c11-8-7-10(12)6-2-5-9(10)3-1-4-9/h12H,1-7H2
InChIKeyIVBVXVIQJHGTCW-UHFFFAOYSA-N
XLogP1.99
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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8-pent-3-ynylspiro[3.4]octan-8-ol
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2-(1-aminocyclopentyl)acetonitrile
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2-(1-propan-2-ylcyclopropyl)acetonitrile
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2-(2-tert-butyl-1-hydroxycyclohexyl)acetonitrile
CID 79118971
2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile
CID 106841881
3-(3-methylbutyl)spiro[3.4]octan-3-ol
CID 164664315
2-[1-(1,3-benzodioxol-5-yl)cyclobutyl]acetonitrile
CID 54471078
1,2-bis(hydroxymethyl)cyclohexane-1,2-diol
CID 154235740
1-(cyanomethyl)-4,4-dimethylcyclohexane-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile?
The IUPAC name of 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile (CID 130848603) is 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile.
What is the SMILES notation for 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile?
The canonical SMILES for 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile is N#CCC1(O)CCCC12CCC2.
What is the InChIKey of 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile?
The InChIKey is IVBVXVIQJHGTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-8-7-10(12)6-2-5-9(10)3-1-4-9/h12H,1-7H2.
What are the key properties of 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile?
2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile has a molecular weight of 165.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxyspiro[3.4]octan-8-yl)acetonitrile is sourced from PubChem (CID 130848603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).