5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one

C10H13N3O3 — CID 126831695

IUPAC5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one
SMILESC=CC(=O)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C10H13N3O3/c1-2-8(14)13-5-3-4-7(6-13)9-11-12-10(15)16-9/h2,7H,1,3-6H2,(H,12,15)
InChIKeyUYCIIRKPYOYUMC-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.25
Rot. Bonds2

About 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one

5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 126831695) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID126831695
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one
SMILESC=CC(=O)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C10H13N3O3/c1-2-8(14)13-5-3-4-7(6-13)9-11-12-10(15)16-9/h2,7H,1,3-6H2,(H,12,15)
InChIKeyUYCIIRKPYOYUMC-UHFFFAOYSA-N
XLogP0.25
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one (CID 126831695) is 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one is C=CC(=O)N1CCCC(c2n[nH]c(=O)o2)C1.
What is the InChIKey of 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is UYCIIRKPYOYUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-8(14)13-5-3-4-7(6-13)9-11-12-10(15)16-9/h2,7H,1,3-6H2,(H,12,15).
What are the key properties of 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one?
5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 223.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 126831695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).