(6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile

C8H12N2O2 — CID 118197607

IUPAC(6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile
SMILESN#C[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C8H12N2O2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-2,4H2/t5-,6-,7-/m1/s1
InChIKeyWOKVFVFSTFFEDJ-FSDSQADBSA-N
MW168.20 g/mol
LogP-1.02
Rot. Bonds

About (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile

(6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile (PubChem CID 118197607) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile.

Molecular Properties

Compound Name(6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile
PubChem CID118197607
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile
SMILESN#C[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C8H12N2O2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-2,4H2/t5-,6-,7-/m1/s1
InChIKeyWOKVFVFSTFFEDJ-FSDSQADBSA-N
XLogP-1.02
TPSA76.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10081601, Example 3
CID 91810852
US10081601, Example 25
CID 118197625
US10081601, Example 4
CID 118197634
US10081601, Example 14
CID 118197680
US10081601, Example 15
CID 118197683
US9796680, Example 15
CID 126501551
US10081601, Example 21
CID 118197611
US10081601, Example 1
CID 118197630
US10081601, Example 20
CID 118197640
US10081601, Example 23
CID 118197648
US10081601, Example 12
CID 118197652
US10081601, Example 24
CID 118197658

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile?
The IUPAC name of (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile (CID 118197607) is (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile.
What is the SMILES notation for (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile?
The canonical SMILES for (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile is N#C[C@@H]1[C@@H](O)[C@H](O)CNC12CC2.
What is the InChIKey of (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile?
The InChIKey is WOKVFVFSTFFEDJ-FSDSQADBSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-2,4H2/t5-,6-,7-/m1/s1.
What are the key properties of (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile?
(6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile has a molecular weight of 168.20 g/mol, XLogP of -1.02, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-carbonitrile is sourced from PubChem (CID 118197607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).