7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile

C10H11NO — CID 118466782

IUPAC7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile
SMILESN#CC1(O)CCC2(C=C=C2)CC1
InChIInChI=1S/C10H11NO/c11-8-10(12)6-4-9(5-7-10)2-1-3-9/h2-3,12H,4-7H2
InChIKeyYPDOCFKGEMZSOR-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.53
Rot. Bonds

About 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile

7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile (PubChem CID 118466782) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile.

Molecular Properties

Compound Name7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile
PubChem CID118466782
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile
SMILESN#CC1(O)CCC2(C=C=C2)CC1
InChIInChI=1S/C10H11NO/c11-8-10(12)6-4-9(5-7-10)2-1-3-9/h2-3,12H,4-7H2
InChIKeyYPDOCFKGEMZSOR-UHFFFAOYSA-N
XLogP1.53
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.53
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 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile?
The IUPAC name of 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile (CID 118466782) is 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile.
What is the SMILES notation for 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile?
The canonical SMILES for 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile is N#CC1(O)CCC2(C=C=C2)CC1.
What is the InChIKey of 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile?
The InChIKey is YPDOCFKGEMZSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-8-10(12)6-4-9(5-7-10)2-1-3-9/h2-3,12H,4-7H2.
What are the key properties of 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile?
7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile has a molecular weight of 161.20 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile is sourced from PubChem (CID 118466782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).