4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine

C14H23NO — CID 170017802

IUPAC4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESC=CC1=C(C)CN(CC2CCOCC2)CC1
InChIInChI=1S/C14H23NO/c1-3-14-4-7-15(10-12(14)2)11-13-5-8-16-9-6-13/h3,13H,1,4-11H2,2H3
InChIKeyLEDBVHQKFVLIOY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.62
Rot. Bonds3

About 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine

4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 170017802) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID170017802
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESC=CC1=C(C)CN(CC2CCOCC2)CC1
InChIInChI=1S/C14H23NO/c1-3-14-4-7-15(10-12(14)2)11-13-5-8-16-9-6-13/h3,13H,1,4-11H2,2H3
InChIKeyLEDBVHQKFVLIOY-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine (CID 170017802) is 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine is C=CC1=C(C)CN(CC2CCOCC2)CC1.
What is the InChIKey of 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is LEDBVHQKFVLIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-14-4-7-15(10-12(14)2)11-13-5-8-16-9-6-13/h3,13H,1,4-11H2,2H3.
What are the key properties of 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine?
4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 221.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170017802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).