benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C15H19NO3 — CID 130152760

IUPACbenzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC=CCC1CCO
InChIInChI=1S/C15H19NO3/c17-11-9-14-8-4-5-10-16(14)15(18)19-12-13-6-2-1-3-7-13/h1-7,14,17H,8-12H2
InChIKeyZJCNVQRWWSARDR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.34
Rot. Bonds4

About benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 130152760) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID130152760
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC=CCC1CCO
InChIInChI=1S/C15H19NO3/c17-11-9-14-8-4-5-10-16(14)15(18)19-12-13-6-2-1-3-7-13/h1-7,14,17H,8-12H2
InChIKeyZJCNVQRWWSARDR-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl (1S,6R)-10-azabicyclo[4.3.1]dec-3-ene-10-carboxylate
CID 12049881
benzyl (5R)-5-(2-hydroxyethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 131865074
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
benzyl (3R)-3-(2-hydroxyethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 13375570
benzyl (2R,5S)-2-(2-acetyloxyethyl)-5-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 73294392
benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate
CID 10516793
benzyl (3S,6S)-3-(2-hydroxyethyl)-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxylate
CID 67092903
benzyl 2H-azete-1-carboxylate
CID 140983848
benzyl (2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate;hydrochloride
CID 45072633
benzyl 2-(aminomethyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 150434246
benzyl 2-(trifluoromethyl)-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 11438008
4-hydroxy-2-phenylmethoxycarbonylpyrazolidine-1-carboxylic acid
CID 142684501

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 130152760) is benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is O=C(OCc1ccccc1)N1CC=CCC1CCO.
What is the InChIKey of benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is ZJCNVQRWWSARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-11-9-14-8-4-5-10-16(14)15(18)19-12-13-6-2-1-3-7-13/h1-7,14,17H,8-12H2.
What are the key properties of benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 130152760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).