methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate

C14H17NO3 — CID 102437813

IUPACmethyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCCC1c1ccccc1OC
InChIInChI=1S/C14H17NO3/c1-17-13-9-4-3-7-11(13)12-8-5-6-10-15(12)14(16)18-2/h3-4,6-7,9-10,12H,5,8H2,1-2H3
InChIKeyUNJQAFIXYSLUPP-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.11
Rot. Bonds2

About methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate

methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 102437813) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID102437813
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCCC1c1ccccc1OC
InChIInChI=1S/C14H17NO3/c1-17-13-9-4-3-7-11(13)12-8-5-6-10-15(12)14(16)18-2/h3-4,6-7,9-10,12H,5,8H2,1-2H3
InChIKeyUNJQAFIXYSLUPP-UHFFFAOYSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl (2S,5R)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
CID 10566577
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
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CID 120754096
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
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cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 102437813) is methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1C=CCCC1c1ccccc1OC.
What is the InChIKey of methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UNJQAFIXYSLUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-13-9-4-3-7-11(13)12-8-5-6-10-15(12)14(16)18-2/h3-4,6-7,9-10,12H,5,8H2,1-2H3.
What are the key properties of methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 102437813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).