2-hydroxyspiro[3.3]heptane-6-carbonitrile

C8H11NO — CID 167721854

IUPAC2-hydroxyspiro[3.3]heptane-6-carbonitrile
SMILESN#CC1CC2(CC(O)C2)C1
InChIInChI=1S/C8H11NO/c9-5-6-1-8(2-6)3-7(10)4-8/h6-7,10H,1-4H2
InChIKeyTWKPKSWNHVARRS-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.06
Rot. Bonds

About 2-hydroxyspiro[3.3]heptane-6-carbonitrile

2-hydroxyspiro[3.3]heptane-6-carbonitrile (PubChem CID 167721854) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-hydroxyspiro[3.3]heptane-6-carbonitrile.

Molecular Properties

Compound Name2-hydroxyspiro[3.3]heptane-6-carbonitrile
PubChem CID167721854
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-hydroxyspiro[3.3]heptane-6-carbonitrile
SMILESN#CC1CC2(CC(O)C2)C1
InChIInChI=1S/C8H11NO/c9-5-6-1-8(2-6)3-7(10)4-8/h6-7,10H,1-4H2
InChIKeyTWKPKSWNHVARRS-UHFFFAOYSA-N
XLogP1.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyspiro[3.3]heptane-6-carbonitrile?
The IUPAC name of 2-hydroxyspiro[3.3]heptane-6-carbonitrile (CID 167721854) is 2-hydroxyspiro[3.3]heptane-6-carbonitrile.
What is the SMILES notation for 2-hydroxyspiro[3.3]heptane-6-carbonitrile?
The canonical SMILES for 2-hydroxyspiro[3.3]heptane-6-carbonitrile is N#CC1CC2(CC(O)C2)C1.
What is the InChIKey of 2-hydroxyspiro[3.3]heptane-6-carbonitrile?
The InChIKey is TWKPKSWNHVARRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-5-6-1-8(2-6)3-7(10)4-8/h6-7,10H,1-4H2.
What are the key properties of 2-hydroxyspiro[3.3]heptane-6-carbonitrile?
2-hydroxyspiro[3.3]heptane-6-carbonitrile has a molecular weight of 137.18 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyspiro[3.3]heptane-6-carbonitrile is sourced from PubChem (CID 167721854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).