benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate

C19H19NO2 — CID 10493956

IUPACbenzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC=C1c1ccccc1
InChIInChI=1S/C19H19NO2/c21-19(22-15-16-9-3-1-4-10-16)20-14-8-7-13-18(20)17-11-5-2-6-12-17/h1-6,9-13H,7-8,14-15H2
InChIKeyVXAZBUGIOGNCJU-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.46
Rot. Bonds3

About benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate

benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10493956) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID10493956
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namebenzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC=C1c1ccccc1
InChIInChI=1S/C19H19NO2/c21-19(22-15-16-9-3-1-4-10-16)20-14-8-7-13-18(20)17-11-5-2-6-12-17/h1-6,9-13H,7-8,14-15H2
InChIKeyVXAZBUGIOGNCJU-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9837961
(S)-6-phenyl-3-m-tolyl-1,3-oxazinan-2-one
CID 44231030
(R)-6-phenyl-3-m-tolyl-1,3-oxazinan-2-one
CID 44231031
Benzyl benzylcarbamate
CID 4935691
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Benzyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 15637681
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
1-benzyl-4-(benzyloxy)-3-ethylpyridin-2(1H)-one
CID 22050258
1-benzyl-4-(benzyloxy)-3-iodopyridin-2(1H)-one
CID 22050830
1(2H)-Quinolinecarboxylic acid, benzyl ester
CID 87267
Boc-1-tert-butoxy-1,2-dihydroisoquinoline
CID 11220413

Frequently Asked Questions

What is the IUPAC name of benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 10493956) is benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC=C1c1ccccc1.
What is the InChIKey of benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is VXAZBUGIOGNCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(22-15-16-9-3-1-4-10-16)20-14-8-7-13-18(20)17-11-5-2-6-12-17/h1-6,9-13H,7-8,14-15H2.
What are the key properties of benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate?
benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10493956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).