5-hydroxypent-3-ynenitrile

C5H5NO — CID 170457154

IUPAC5-hydroxypent-3-ynenitrile
SMILESN#CCC#CCO
InChIInChI=1S/C5H5NO/c6-4-2-1-3-5-7/h7H,2,5H2
InChIKeyGTADJRJGQVSORJ-UHFFFAOYSA-N
MW95.10 g/mol
LogP-0.10
Rot. Bonds

About 5-hydroxypent-3-ynenitrile

5-hydroxypent-3-ynenitrile (PubChem CID 170457154) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 5-hydroxypent-3-ynenitrile.

Molecular Properties

Compound Name5-hydroxypent-3-ynenitrile
PubChem CID170457154
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name5-hydroxypent-3-ynenitrile
SMILESN#CCC#CCO
InChIInChI=1S/C5H5NO/c6-4-2-1-3-5-7/h7H,2,5H2
InChIKeyGTADJRJGQVSORJ-UHFFFAOYSA-N
XLogP-0.10
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypent-3-ynenitrile?
The IUPAC name of 5-hydroxypent-3-ynenitrile (CID 170457154) is 5-hydroxypent-3-ynenitrile.
What is the SMILES notation for 5-hydroxypent-3-ynenitrile?
The canonical SMILES for 5-hydroxypent-3-ynenitrile is N#CCC#CCO.
What is the InChIKey of 5-hydroxypent-3-ynenitrile?
The InChIKey is GTADJRJGQVSORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h7H,2,5H2.
What are the key properties of 5-hydroxypent-3-ynenitrile?
5-hydroxypent-3-ynenitrile has a molecular weight of 95.10 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypent-3-ynenitrile is sourced from PubChem (CID 170457154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).