pent-1-en-1-ol

C5H10O — CID 53438915

IUPACpent-1-en-1-ol
SMILESCCCC=CO
InChIInChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3
InChIKeyLHTVMBMETNGEAN-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.86
Rot. Bonds2

About pent-1-en-1-ol

pent-1-en-1-ol (PubChem CID 53438915) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is pent-1-en-1-ol.

Molecular Properties

Compound Namepent-1-en-1-ol
PubChem CID53438915
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Namepent-1-en-1-ol
SMILESCCCC=CO
InChIInChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3
InChIKeyLHTVMBMETNGEAN-UHFFFAOYSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze pent-1-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pent-1-en-1-ol?
The IUPAC name of pent-1-en-1-ol (CID 53438915) is pent-1-en-1-ol.
What is the SMILES notation for pent-1-en-1-ol?
The canonical SMILES for pent-1-en-1-ol is CCCC=CO.
What is the InChIKey of pent-1-en-1-ol?
The InChIKey is LHTVMBMETNGEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3.
What are the key properties of pent-1-en-1-ol?
pent-1-en-1-ol has a molecular weight of 86.13 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-1-ol is sourced from PubChem (CID 53438915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).