6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

C14H15N3O2 — CID 122673469

IUPAC6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESC=CCON1C(=O)N2CC(c3cccnc3)=CC1C2
InChIInChI=1S/C14H15N3O2/c1-2-6-19-17-13-7-12(9-16(10-13)14(17)18)11-4-3-5-15-8-11/h2-5,7-8,13H,1,6,9-10H2
InChIKeyOHEGVANZXONRCA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.70
Rot. Bonds4

About 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (PubChem CID 122673469) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.

Molecular Properties

Compound Name6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
PubChem CID122673469
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESC=CCON1C(=O)N2CC(c3cccnc3)=CC1C2
InChIInChI=1S/C14H15N3O2/c1-2-6-19-17-13-7-12(9-16(10-13)14(17)18)11-4-3-5-15-8-11/h2-5,7-8,13H,1,6,9-10H2
InChIKeyOHEGVANZXONRCA-UHFFFAOYSA-N
XLogP1.70
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one 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 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The IUPAC name of 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (CID 122673469) is 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.
What is the SMILES notation for 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The canonical SMILES for 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is C=CCON1C(=O)N2CC(c3cccnc3)=CC1C2.
What is the InChIKey of 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The InChIKey is OHEGVANZXONRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-6-19-17-13-7-12(9-16(10-13)14(17)18)11-4-3-5-15-8-11/h2-5,7-8,13H,1,6,9-10H2.
What are the key properties of 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one has a molecular weight of 257.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoxy-3-pyridin-3-yl-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is sourced from PubChem (CID 122673469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).