(3S,4S)-4-hydroxyoxolane-3-carbonitrile

C5H7NO2 — CID 96563207

IUPAC(3S,4S)-4-hydroxyoxolane-3-carbonitrile
SMILESN#C[C@H]1COC[C@H]1O
InChIInChI=1S/C5H7NO2/c6-1-4-2-8-3-5(4)7/h4-5,7H,2-3H2/t4-,5+/m0/s1
InChIKeyKZVPMNPHZILVPO-CRCLSJGQSA-N
MW113.12 g/mol
LogP-0.48
Rot. Bonds

About (3S,4S)-4-hydroxyoxolane-3-carbonitrile

(3S,4S)-4-hydroxyoxolane-3-carbonitrile (PubChem CID 96563207) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (3S,4S)-4-hydroxyoxolane-3-carbonitrile.

Molecular Properties

Compound Name(3S,4S)-4-hydroxyoxolane-3-carbonitrile
PubChem CID96563207
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(3S,4S)-4-hydroxyoxolane-3-carbonitrile
SMILESN#C[C@H]1COC[C@H]1O
InChIInChI=1S/C5H7NO2/c6-1-4-2-8-3-5(4)7/h4-5,7H,2-3H2/t4-,5+/m0/s1
InChIKeyKZVPMNPHZILVPO-CRCLSJGQSA-N
XLogP-0.48
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-hydroxyoxolane-3-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

2-hydroxycyclohexane-1-carbonitrile
CID 543100
(3R,5S)-4-methyloxane-3,5-diol
CID 129236591
4-aminooxane-3-carbonitrile
CID 105427274
(3S,4R)-3-methyloxane-4-carbonitrile
CID 99718652
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol
CID 163497744
bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
CID 25004234
(3R,4R)-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyoxolan-3-ol
CID 101047051
silver 4-hydroxyoxolane-3-thiolate
CID 21274680
(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
CID 125455079
(1R,4S,5S,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
CID 125455078
(3R,4R)-4-(methylamino)oxolan-3-ol
CID 73357418
(3R)-4-[(4-methoxyphenyl)methylsulfanyl]oxolane-3-carbonitrile
CID 67707263

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-hydroxyoxolane-3-carbonitrile?
The IUPAC name of (3S,4S)-4-hydroxyoxolane-3-carbonitrile (CID 96563207) is (3S,4S)-4-hydroxyoxolane-3-carbonitrile.
What is the SMILES notation for (3S,4S)-4-hydroxyoxolane-3-carbonitrile?
The canonical SMILES for (3S,4S)-4-hydroxyoxolane-3-carbonitrile is N#C[C@H]1COC[C@H]1O.
What is the InChIKey of (3S,4S)-4-hydroxyoxolane-3-carbonitrile?
The InChIKey is KZVPMNPHZILVPO-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H7NO2/c6-1-4-2-8-3-5(4)7/h4-5,7H,2-3H2/t4-,5+/m0/s1.
What are the key properties of (3S,4S)-4-hydroxyoxolane-3-carbonitrile?
(3S,4S)-4-hydroxyoxolane-3-carbonitrile has a molecular weight of 113.12 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-hydroxyoxolane-3-carbonitrile is sourced from PubChem (CID 96563207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).