methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C15H19NO2 — CID 10610375

IUPACmethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OC)C1
InChIInChI=1S/C15H19NO2/c1-3-16-10-9-13(12-7-5-4-6-8-12)14(11-16)15(17)18-2/h4-8H,3,9-11H2,1-2H3
InChIKeyMVGKVQYNQPRWCV-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.34
Rot. Bonds3

About methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 10610375) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID10610375
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OC)C1
InChIInChI=1S/C15H19NO2/c1-3-16-10-9-13(12-7-5-4-6-8-12)14(11-16)15(17)18-2/h4-8H,3,9-11H2,1-2H3
InChIKeyMVGKVQYNQPRWCV-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 methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 10610375) is methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCN1CCC(c2ccccc2)=C(C(=O)OC)C1.
What is the InChIKey of methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is MVGKVQYNQPRWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-16-10-9-13(12-7-5-4-6-8-12)14(11-16)15(17)18-2/h4-8H,3,9-11H2,1-2H3.
What are the key properties of methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate 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 methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 10610375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).