cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile

C9H15NO — CID 101105228

IUPACcis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile
SMILESN#C[C@@H]1CCCCCC[C@H]1O
InChIInChI=1S/C9H15NO/c10-7-8-5-3-1-2-4-6-9(8)11/h8-9,11H,1-6H2/t8-,9+/m0/s1
InChIKeyXTEXUHAOVBQOJQ-DTWKUNHWSA-N
MW153.23 g/mol
LogP1.84
Rot. Bonds

About cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile

cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile (PubChem CID 101105228) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile
PubChem CID101105228
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Namecis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile
SMILESN#C[C@@H]1CCCCCC[C@H]1O
InChIInChI=1S/C9H15NO/c10-7-8-5-3-1-2-4-6-9(8)11/h8-9,11H,1-6H2/t8-,9+/m0/s1
InChIKeyXTEXUHAOVBQOJQ-DTWKUNHWSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile?
The IUPAC name of cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile (CID 101105228) is cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile?
The canonical SMILES for cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile is N#C[C@@H]1CCCCCC[C@H]1O.
What is the InChIKey of cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile?
The InChIKey is XTEXUHAOVBQOJQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15NO/c10-7-8-5-3-1-2-4-6-9(8)11/h8-9,11H,1-6H2/t8-,9+/m0/s1.
What are the key properties of cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile?
cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile has a molecular weight of 153.23 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-hydroxycyclooctane-1-carbonitrile is sourced from PubChem (CID 101105228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).