6-hydroxyspiro[2.5]octane-6-carbonitrile

C9H13NO — CID 155293756

IUPAC6-hydroxyspiro[2.5]octane-6-carbonitrile
SMILESN#CC1(O)CCC2(CC1)CC2
InChIInChI=1S/C9H13NO/c10-7-9(11)5-3-8(1-2-8)4-6-9/h11H,1-6H2
InChIKeyYQOCANGBKOIPAS-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.60
Rot. Bonds

About 6-hydroxyspiro[2.5]octane-6-carbonitrile

6-hydroxyspiro[2.5]octane-6-carbonitrile (PubChem CID 155293756) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-hydroxyspiro[2.5]octane-6-carbonitrile.

Molecular Properties

Compound Name6-hydroxyspiro[2.5]octane-6-carbonitrile
PubChem CID155293756
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-hydroxyspiro[2.5]octane-6-carbonitrile
SMILESN#CC1(O)CCC2(CC1)CC2
InChIInChI=1S/C9H13NO/c10-7-9(11)5-3-8(1-2-8)4-6-9/h11H,1-6H2
InChIKeyYQOCANGBKOIPAS-UHFFFAOYSA-N
XLogP1.60
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxyspiro[2.5]octane-6-carbonitrile?
The IUPAC name of 6-hydroxyspiro[2.5]octane-6-carbonitrile (CID 155293756) is 6-hydroxyspiro[2.5]octane-6-carbonitrile.
What is the SMILES notation for 6-hydroxyspiro[2.5]octane-6-carbonitrile?
The canonical SMILES for 6-hydroxyspiro[2.5]octane-6-carbonitrile is N#CC1(O)CCC2(CC1)CC2.
What is the InChIKey of 6-hydroxyspiro[2.5]octane-6-carbonitrile?
The InChIKey is YQOCANGBKOIPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-7-9(11)5-3-8(1-2-8)4-6-9/h11H,1-6H2.
What are the key properties of 6-hydroxyspiro[2.5]octane-6-carbonitrile?
6-hydroxyspiro[2.5]octane-6-carbonitrile has a molecular weight of 151.21 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyspiro[2.5]octane-6-carbonitrile is sourced from PubChem (CID 155293756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).