(2R)-2-hydroxyhept-6-enenitrile

C7H11NO — CID 10654227

IUPAC(2R)-2-hydroxyhept-6-enenitrile
SMILESC=CCCC[C@@H](O)C#N
InChIInChI=1S/C7H11NO/c1-2-3-4-5-7(9)6-8/h2,7,9H,1,3-5H2/t7-/m1/s1
InChIKeyCTGWCGXUKBDYJJ-SSDOTTSWSA-N
MW125.17 g/mol
LogP1.23
Rot. Bonds4

About (2R)-2-hydroxyhept-6-enenitrile

(2R)-2-hydroxyhept-6-enenitrile (PubChem CID 10654227) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2R)-2-hydroxyhept-6-enenitrile.

Molecular Properties

Compound Name(2R)-2-hydroxyhept-6-enenitrile
PubChem CID10654227
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2R)-2-hydroxyhept-6-enenitrile
SMILESC=CCCC[C@@H](O)C#N
InChIInChI=1S/C7H11NO/c1-2-3-4-5-7(9)6-8/h2,7,9H,1,3-5H2/t7-/m1/s1
InChIKeyCTGWCGXUKBDYJJ-SSDOTTSWSA-N
XLogP1.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': '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

3-hydroxyoct-7-enenitrile
CID 23468119
2-pent-4-enylpropanedinitrile
CID 131851760
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
2-ethyloct-7-enenitrile
CID 87482647
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
1-fluorohex-5-en-1-ol
CID 165382533
oct-7-enenitrile
CID 10909562
(2S)-2-hydroxypentanedinitrile
CID 98062050
nona-1,8-dien-4-ol
CID 14385456
methyl 2-cyanohept-6-enoate
CID 15363749
2-methylhexadec-15-enenitrile
CID 54387096
(3R,4R)-non-8-ene-1,3,4-triol
CID 10866828

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxyhept-6-enenitrile?
The IUPAC name of (2R)-2-hydroxyhept-6-enenitrile (CID 10654227) is (2R)-2-hydroxyhept-6-enenitrile.
What is the SMILES notation for (2R)-2-hydroxyhept-6-enenitrile?
The canonical SMILES for (2R)-2-hydroxyhept-6-enenitrile is C=CCCC[C@@H](O)C#N.
What is the InChIKey of (2R)-2-hydroxyhept-6-enenitrile?
The InChIKey is CTGWCGXUKBDYJJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-4-5-7(9)6-8/h2,7,9H,1,3-5H2/t7-/m1/s1.
What are the key properties of (2R)-2-hydroxyhept-6-enenitrile?
(2R)-2-hydroxyhept-6-enenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxyhept-6-enenitrile is sourced from PubChem (CID 10654227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).