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

C13H15NO2 — CID 15637681

IUPACbenzyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CCCC1
InChIInChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2
InChIKeyLLRZWESXFFNSKX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.93
Rot. Bonds2

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

benzyl 3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 15637681) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is benzyl 3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID15637681
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namebenzyl 3,4-dihydro-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CCCC1
InChIInChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2
InChIKeyLLRZWESXFFNSKX-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2H-azete-1-carboxylate
CID 140983848
benzyl (3S)-3-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
CID 11031771
benzyl (6Z)-10-oxo-2,3,4,5,8,9-hexahydroazecine-1-carboxylate
CID 10517395
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl piperidine-1-carboxylate
CID 158057698
benzyl aziridine-1-carboxylate;silane
CID 158496499
[4-bis(phenylmethoxy)phosphoryloxy-3-fluorophenyl]methyl 2,3-dihydropyrrole-1-carboxylate
CID 139543439
benzyl (1S,6R)-10-azabicyclo[4.3.1]dec-3-ene-10-carboxylate
CID 12049881
benzyl 3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 143937845
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
CID 22215050

Frequently Asked Questions

What is the IUPAC name of benzyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 3,4-dihydro-2H-pyridine-1-carboxylate (CID 15637681) is benzyl 3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 3,4-dihydro-2H-pyridine-1-carboxylate is O=C(OCc1ccccc1)N1C=CCCC1.
What is the InChIKey of benzyl 3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is LLRZWESXFFNSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2.
What are the key properties of benzyl 3,4-dihydro-2H-pyridine-1-carboxylate?
benzyl 3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 217.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 15637681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).