3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene

C10H10N2O — CID 101489974

IUPAC3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene
SMILESC1=CC2CC1ON2c1ccccn1
InChIInChI=1S/C10H10N2O/c1-2-6-11-10(3-1)12-8-4-5-9(7-8)13-12/h1-6,8-9H,7H2
InChIKeyZLHLJTGNINPABP-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.53
Rot. Bonds1

About 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene

3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene (PubChem CID 101489974) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene
PubChem CID101489974
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene
SMILESC1=CC2CC1ON2c1ccccn1
InChIInChI=1S/C10H10N2O/c1-2-6-11-10(3-1)12-8-4-5-9(7-8)13-12/h1-6,8-9H,7H2
InChIKeyZLHLJTGNINPABP-UHFFFAOYSA-N
XLogP1.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[(1S,4R)-3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.2]oct-5-en-5-yl]oxy]silane
CID 102522757
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
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(1R,2S,6R,7R)-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23308558
(1R,2S,6R,7S)-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6950417
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 131042110
6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride
CID 170987771
2-(3-pyridin-2-yl-2H-imidazol-1-yl)pyridine;hydrochloride
CID 173112837
(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
phenyl 7-pyridin-2-yl-2,7-diazabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134841163

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene (CID 101489974) is 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene is C1=CC2CC1ON2c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene?
The InChIKey is ZLHLJTGNINPABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-6-11-10(3-1)12-8-4-5-9(7-8)13-12/h1-6,8-9H,7H2.
What are the key properties of 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene?
3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene has a molecular weight of 174.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2-oxa-3-azabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 101489974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).