1-prop-2-enoxy-3,4-dihydro-2H-pyridine

C8H13NO — CID 174956595

IUPAC1-prop-2-enoxy-3,4-dihydro-2H-pyridine
SMILESC=CCON1C=CCCC1
InChIInChI=1S/C8H13NO/c1-2-8-10-9-6-4-3-5-7-9/h2,4,6H,1,3,5,7-8H2
InChIKeyGEBQUMSYPPMTOH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.71
Rot. Bonds3

About 1-prop-2-enoxy-3,4-dihydro-2H-pyridine

1-prop-2-enoxy-3,4-dihydro-2H-pyridine (PubChem CID 174956595) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-prop-2-enoxy-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-prop-2-enoxy-3,4-dihydro-2H-pyridine
PubChem CID174956595
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-prop-2-enoxy-3,4-dihydro-2H-pyridine
SMILESC=CCON1C=CCCC1
InChIInChI=1S/C8H13NO/c1-2-8-10-9-6-4-3-5-7-9/h2,4,6H,1,3,5,7-8H2
InChIKeyGEBQUMSYPPMTOH-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methoxytetrahydropyridine
CID 57117798
2-Vinyl-3,4-dihydrooxazine
CID 69792050
Ethoxy-1,4,5,6-tetrahydropyridine
CID 129779094
1-Ethenoxy-2,3-dihydropyrrole
CID 67826515
2-But-3-enyloxazine
CID 69220190
1,2-dimethoxy-3,4-dihydro-2H-pyridine
CID 70085192
1-propoxy-4H-pyridine
CID 172792076
1-oxido-3,4-dihydro-2H-pyridine
CID 129724573

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-prop-2-enoxy-3,4-dihydro-2H-pyridine (CID 174956595) is 1-prop-2-enoxy-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-prop-2-enoxy-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-prop-2-enoxy-3,4-dihydro-2H-pyridine is C=CCON1C=CCCC1.
What is the InChIKey of 1-prop-2-enoxy-3,4-dihydro-2H-pyridine?
The InChIKey is GEBQUMSYPPMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-8-10-9-6-4-3-5-7-9/h2,4,6H,1,3,5,7-8H2.
What are the key properties of 1-prop-2-enoxy-3,4-dihydro-2H-pyridine?
1-prop-2-enoxy-3,4-dihydro-2H-pyridine has a molecular weight of 139.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 174956595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).