(1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile

C9H13NO — CID 11859739

IUPAC(1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile
SMILESN#C[C@@H]1C[C@H]2CC[C@@H](O)[C@@H]1C2
InChIInChI=1S/C9H13NO/c10-5-7-3-6-1-2-9(11)8(7)4-6/h6-9,11H,1-4H2/t6-,7+,8-,9-/m1/s1
InChIKeyURLZXBPLHITGCF-BZNPZCIMSA-N
MW151.21 g/mol
LogP1.31
Rot. Bonds

About (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile

(1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile (PubChem CID 11859739) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile.

Molecular Properties

Compound Name(1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile
PubChem CID11859739
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile
SMILESN#C[C@@H]1C[C@H]2CC[C@@H](O)[C@@H]1C2
InChIInChI=1S/C9H13NO/c10-5-7-3-6-1-2-9(11)8(7)4-6/h6-9,11H,1-4H2/t6-,7+,8-,9-/m1/s1
InChIKeyURLZXBPLHITGCF-BZNPZCIMSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile?
The IUPAC name of (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile (CID 11859739) is (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile.
What is the SMILES notation for (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile?
The canonical SMILES for (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile is N#C[C@@H]1C[C@H]2CC[C@@H](O)[C@@H]1C2.
What is the InChIKey of (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile?
The InChIKey is URLZXBPLHITGCF-BZNPZCIMSA-N. The full InChI is InChI=1S/C9H13NO/c10-5-7-3-6-1-2-9(11)8(7)4-6/h6-9,11H,1-4H2/t6-,7+,8-,9-/m1/s1.
What are the key properties of (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile?
(1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile has a molecular weight of 151.21 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6R)-4-hydroxybicyclo[3.2.1]octane-6-carbonitrile is sourced from PubChem (CID 11859739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).