(E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile

C8H11NO — CID 15309515

IUPAC(E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile
SMILESC=CC[C@](O)(C#N)/C=C/C
InChIInChI=1S/C8H11NO/c1-3-5-8(10,7-9)6-4-2/h3-4,6,10H,1,5H2,2H3/b6-4+/t8-/m1/s1
InChIKeyFNRVTZSCKGDVLS-YZCDNWJKSA-N
MW137.18 g/mol
LogP1.39
Rot. Bonds3

About (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile

(E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile (PubChem CID 15309515) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile.

Molecular Properties

Compound Name(E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile
PubChem CID15309515
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile
SMILESC=CC[C@](O)(C#N)/C=C/C
InChIInChI=1S/C8H11NO/c1-3-5-8(10,7-9)6-4-2/h3-4,6,10H,1,5H2,2H3/b6-4+/t8-/m1/s1
InChIKeyFNRVTZSCKGDVLS-YZCDNWJKSA-N
XLogP1.39
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.39
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

CID 134872831
CID 134872831
CID 134872902
CID 134872902
(E)-2-hydroxy-2-methylhept-3-enenitrile
CID 134963677
1-Hydroxycyclohexa-2,4-diene-1-carbonitrile;hydrate
CID 22559986
1-Hydroxycyclohexa-2,4-diene-1-carbonitrile
CID 22559987
2-Hydroxy-2,6-dimethylhept-3-enenitrile
CID 54485116
4-Hydroxy-4-methylcyclohexa-1,5-diene-1-carbonitrile
CID 141980340
(E)-2-ethenyl-3-hydroxyhex-4-enenitrile
CID 10558677
(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile
CID 10606743
(E,2R)-2-hydroxy-2-methylpent-3-enenitrile
CID 10772945
(E)-5-hydroxy-2-(2-hydroxypropan-2-yl)pent-3-enenitrile
CID 14026840
(E)-2-(2-hydroxypropan-2-yl)hept-2-enenitrile
CID 14266422

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile?
The IUPAC name of (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile (CID 15309515) is (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile.
What is the SMILES notation for (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile?
The canonical SMILES for (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile is C=CC[C@](O)(C#N)/C=C/C.
What is the InChIKey of (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile?
The InChIKey is FNRVTZSCKGDVLS-YZCDNWJKSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-8(10,7-9)6-4-2/h3-4,6,10H,1,5H2,2H3/b6-4+/t8-/m1/s1.
What are the key properties of (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile?
(E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile has a molecular weight of 137.18 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile is sourced from PubChem (CID 15309515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).