(2S)-2-hydroxy-2-propylpent-4-enenitrile

C8H13NO — CID 10725418

IUPAC(2S)-2-hydroxy-2-propylpent-4-enenitrile
SMILESC=CC[C@](O)(C#N)CCC
InChIInChI=1S/C8H13NO/c1-3-5-8(10,7-9)6-4-2/h3,10H,1,4-6H2,2H3/t8-/m1/s1
InChIKeyNOIAFIAAZXJKNO-MRVPVSSYSA-N
MW139.20 g/mol
LogP1.62
Rot. Bonds4

About (2S)-2-hydroxy-2-propylpent-4-enenitrile

(2S)-2-hydroxy-2-propylpent-4-enenitrile (PubChem CID 10725418) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-propylpent-4-enenitrile.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-propylpent-4-enenitrile
PubChem CID10725418
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2S)-2-hydroxy-2-propylpent-4-enenitrile
SMILESC=CC[C@](O)(C#N)CCC
InChIInChI=1S/C8H13NO/c1-3-5-8(10,7-9)6-4-2/h3,10H,1,4-6H2,2H3/t8-/m1/s1
InChIKeyNOIAFIAAZXJKNO-MRVPVSSYSA-N
XLogP1.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Hydroxy-5,7-dimethyloct-7-enenitrile
CID 18987891
(2R)-2-hydroxy-2-methylhex-5-enenitrile
CID 15073275
(E)-5-hydroxy-5-methyloct-2-enenitrile
CID 135038339
2-Hydroxy-2-methyl-4-pentenenitrile
CID 12671641
2,5-Dimethyl-2-hydroxy-5-hexenenitrile
CID 20432101
3-Hydroxy-3,7-dimethyloct-6-enenitrile
CID 20538474
2-Hydroxy-2-methylhex-5-enenitrile
CID 22561336
2-Hydroxy-2-prop-2-enylbutanedinitrile
CID 87184798
2-Hepta-1,6-dien-4-yl-2-hydroxybutanedinitrile
CID 87746055
2-Hydroxy-2-prop-2-enylpent-4-enenitrile
CID 87932764
2-Hydroxy-2-prop-2-enylheptanenitrile
CID 88404330
2-Hydroxy-2,3-bis(prop-2-enyl)butanedinitrile
CID 126600148

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-propylpent-4-enenitrile?
The IUPAC name of (2S)-2-hydroxy-2-propylpent-4-enenitrile (CID 10725418) is (2S)-2-hydroxy-2-propylpent-4-enenitrile.
What is the SMILES notation for (2S)-2-hydroxy-2-propylpent-4-enenitrile?
The canonical SMILES for (2S)-2-hydroxy-2-propylpent-4-enenitrile is C=CC[C@](O)(C#N)CCC.
What is the InChIKey of (2S)-2-hydroxy-2-propylpent-4-enenitrile?
The InChIKey is NOIAFIAAZXJKNO-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-8(10,7-9)6-4-2/h3,10H,1,4-6H2,2H3/t8-/m1/s1.
What are the key properties of (2S)-2-hydroxy-2-propylpent-4-enenitrile?
(2S)-2-hydroxy-2-propylpent-4-enenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-propylpent-4-enenitrile is sourced from PubChem (CID 10725418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).