3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one

C8H12N2O — CID 69488772

IUPAC3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one
SMILESC/C=C/CCC1=NNC(=O)C1
InChIInChI=1S/C8H12N2O/c1-2-3-4-5-7-6-8(11)10-9-7/h2-3H,4-6H2,1H3,(H,10,11)/b3-2+
InChIKeyKAAYOPFHNAIKAQ-NSCUHMNNSA-N
MW152.20 g/mol
LogP1.22
Rot. Bonds3

About 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one

3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one (PubChem CID 69488772) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one
PubChem CID69488772
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one
SMILESC/C=C/CCC1=NNC(=O)C1
InChIInChI=1S/C8H12N2O/c1-2-3-4-5-7-6-8(11)10-9-7/h2-3H,4-6H2,1H3,(H,10,11)/b3-2+
InChIKeyKAAYOPFHNAIKAQ-NSCUHMNNSA-N
XLogP1.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one (CID 69488772) is 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one is C/C=C/CCC1=NNC(=O)C1.
What is the InChIKey of 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one?
The InChIKey is KAAYOPFHNAIKAQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-4-5-7-6-8(11)10-9-7/h2-3H,4-6H2,1H3,(H,10,11)/b3-2+.
What are the key properties of 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one?
3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one has a molecular weight of 152.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-pent-3-enyl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 69488772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).