(2R)-2-hydroxy-3-prop-2-enoxypropanenitrile

C6H9NO2 — CID 101034532

IUPAC(2R)-2-hydroxy-3-prop-2-enoxypropanenitrile
SMILESC=CCOC[C@H](O)C#N
InChIInChI=1S/C6H9NO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3,5H2/t6-/m1/s1
InChIKeySQVCCLCZLYBXOC-ZCFIWIBFSA-N
MW127.14 g/mol
LogP0.07
Rot. Bonds4

About (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile

(2R)-2-hydroxy-3-prop-2-enoxypropanenitrile (PubChem CID 101034532) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-prop-2-enoxypropanenitrile
PubChem CID101034532
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2R)-2-hydroxy-3-prop-2-enoxypropanenitrile
SMILESC=CCOC[C@H](O)C#N
InChIInChI=1S/C6H9NO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3,5H2/t6-/m1/s1
InChIKeySQVCCLCZLYBXOC-ZCFIWIBFSA-N
XLogP0.07
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-prop-2-enoxypropanenitrile
CID 19739900
2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane
CID 170724372
CID 154701098
CID 154701098
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
(2R)-2-hydroxyhept-6-enenitrile
CID 10654227
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylsulfanyl)ethanol;3-prop-2-enoxypropane-1,2-diol
CID 6455521
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
1-hydrazinyl-3-prop-2-enoxypropan-2-ol
CID 130123997
(2R)-1-[4-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]piperazine-1,4-diium-1-yl]-3-prop-2-enoxypropan-2-ol
CID 7590532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile?
The IUPAC name of (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile (CID 101034532) is (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile.
What is the SMILES notation for (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile?
The canonical SMILES for (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile is C=CCOC[C@H](O)C#N.
What is the InChIKey of (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile?
The InChIKey is SQVCCLCZLYBXOC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3,5H2/t6-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile?
(2R)-2-hydroxy-3-prop-2-enoxypropanenitrile has a molecular weight of 127.14 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-prop-2-enoxypropanenitrile is sourced from PubChem (CID 101034532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).