(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile

C10H15NO — CID 125455079

IUPAC(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
SMILESN#C[C@@H]1CC[C@@H]2C[C@@H]2CC[C@H]1O
InChIInChI=1S/C10H15NO/c11-6-9-2-1-7-5-8(7)3-4-10(9)12/h7-10,12H,1-5H2/t7-,8+,9+,10-/m1/s1
InChIKeyZKXHTAOKNLTVKA-XFWSIPNHSA-N
MW165.24 g/mol
LogP1.70
Rot. Bonds

About (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile

(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile (PubChem CID 125455079) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile.

Molecular Properties

Compound Name(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
PubChem CID125455079
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
SMILESN#C[C@@H]1CC[C@@H]2C[C@@H]2CC[C@H]1O
InChIInChI=1S/C10H15NO/c11-6-9-2-1-7-5-8(7)3-4-10(9)12/h7-10,12H,1-5H2/t7-,8+,9+,10-/m1/s1
InChIKeyZKXHTAOKNLTVKA-XFWSIPNHSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile?
The IUPAC name of (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile (CID 125455079) is (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile.
What is the SMILES notation for (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile?
The canonical SMILES for (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile is N#C[C@@H]1CC[C@@H]2C[C@@H]2CC[C@H]1O.
What is the InChIKey of (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile?
The InChIKey is ZKXHTAOKNLTVKA-XFWSIPNHSA-N. The full InChI is InChI=1S/C10H15NO/c11-6-9-2-1-7-5-8(7)3-4-10(9)12/h7-10,12H,1-5H2/t7-,8+,9+,10-/m1/s1.
What are the key properties of (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile?
(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile is sourced from PubChem (CID 125455079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).