(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile

C7H11NO — CID 10606743

IUPAC(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile
SMILESC/C=C/[C@@](O)(C#N)CC
InChIInChI=1S/C7H11NO/c1-3-5-7(9,4-2)6-8/h3,5,9H,4H2,1-2H3/b5-3+/t7-/m1/s1
InChIKeyDFTBCSSQQJYYEY-OHCKJTPYSA-N
MW125.17 g/mol
LogP1.23
Rot. Bonds2

About (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile

(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile (PubChem CID 10606743) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile.

Molecular Properties

Compound Name(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile
PubChem CID10606743
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile
SMILESC/C=C/[C@@](O)(C#N)CC
InChIInChI=1S/C7H11NO/c1-3-5-7(9,4-2)6-8/h3,5,9H,4H2,1-2H3/b5-3+/t7-/m1/s1
InChIKeyDFTBCSSQQJYYEY-OHCKJTPYSA-N
XLogP1.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.23
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

(3R)-3-hydroxy-3-methylpent-4-enenitrile
CID 96004166
(2E)-2-(1-Hydroxy-1-methylethyl)-2-butenedinitrile
CID 131862954
(E)-2-hydroxy-2-methylhept-3-enenitrile
CID 134963677
3-Hydroxy-3-methylpent-4-enenitrile
CID 12522362
(Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile
CID 101397632
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
2-Ethyl-2-hydroxybut-3-enenitrile
CID 163594361
2-(1-Hydroxycyclopent-2-en-1-yl)acetonitrile
CID 10558647
(E,2R)-2-hydroxy-2-methylpent-3-enenitrile
CID 10772945
4-Pentenenitrile, 3-hydroxy-3-methyl-, (3S)-
CID 11491924

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile?
The IUPAC name of (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile (CID 10606743) is (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile.
What is the SMILES notation for (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile?
The canonical SMILES for (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile is C/C=C/[C@@](O)(C#N)CC.
What is the InChIKey of (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile?
The InChIKey is DFTBCSSQQJYYEY-OHCKJTPYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-7(9,4-2)6-8/h3,5,9H,4H2,1-2H3/b5-3+/t7-/m1/s1.
What are the key properties of (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile?
(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-ethyl-2-hydroxypent-3-enenitrile is sourced from PubChem (CID 10606743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).