5-hydroxypent-2-enenitrile

C5H7NO — CID 548826

IUPAC5-hydroxypent-2-enenitrile
SMILESN#CC=CCCO
InChIInChI=1S/C5H7NO/c6-4-2-1-3-5-7/h1-2,7H,3,5H2
InChIKeyHIHLTZWMAUOGHM-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.45
Rot. Bonds2

About 5-hydroxypent-2-enenitrile

5-hydroxypent-2-enenitrile (PubChem CID 548826) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 5-hydroxypent-2-enenitrile.

Molecular Properties

Compound Name5-hydroxypent-2-enenitrile
PubChem CID548826
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name5-hydroxypent-2-enenitrile
SMILESN#CC=CCCO
InChIInChI=1S/C5H7NO/c6-4-2-1-3-5-7/h1-2,7H,3,5H2
InChIKeyHIHLTZWMAUOGHM-UHFFFAOYSA-N
XLogP0.45
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypent-2-enenitrile?
The IUPAC name of 5-hydroxypent-2-enenitrile (CID 548826) is 5-hydroxypent-2-enenitrile.
What is the SMILES notation for 5-hydroxypent-2-enenitrile?
The canonical SMILES for 5-hydroxypent-2-enenitrile is N#CC=CCCO.
What is the InChIKey of 5-hydroxypent-2-enenitrile?
The InChIKey is HIHLTZWMAUOGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h1-2,7H,3,5H2.
What are the key properties of 5-hydroxypent-2-enenitrile?
5-hydroxypent-2-enenitrile has a molecular weight of 97.12 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypent-2-enenitrile is sourced from PubChem (CID 548826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).