(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate

C15H19NO2 — CID 3049913

IUPAC(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate
SMILESCCC(=O)OC1CN(C)CC=C1c1ccccc1
InChIInChI=1S/C15H19NO2/c1-3-15(17)18-14-11-16(2)10-9-13(14)12-7-5-4-6-8-12/h4-9,14H,3,10-11H2,1-2H3
InChIKeyUNXVBBIJAXDZKA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.34
Rot. Bonds3

About (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate

(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate (PubChem CID 3049913) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate.

Molecular Properties

Compound Name(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate
PubChem CID3049913
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate
SMILESCCC(=O)OC1CN(C)CC=C1c1ccccc1
InChIInChI=1S/C15H19NO2/c1-3-15(17)18-14-11-16(2)10-9-13(14)12-7-5-4-6-8-12/h4-9,14H,3,10-11H2,1-2H3
InChIKeyUNXVBBIJAXDZKA-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate?
The IUPAC name of (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate (CID 3049913) is (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate.
What is the SMILES notation for (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate?
The canonical SMILES for (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate is CCC(=O)OC1CN(C)CC=C1c1ccccc1.
What is the InChIKey of (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate?
The InChIKey is UNXVBBIJAXDZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-15(17)18-14-11-16(2)10-9-13(14)12-7-5-4-6-8-12/h4-9,14H,3,10-11H2,1-2H3.
What are the key properties of (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate?
(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate has a molecular weight of 245.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate is sourced from PubChem (CID 3049913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).