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

C14H17NO2 — CID 14846886

IUPACethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CCC=CC1c1ccccc1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)15-11-7-6-10-13(15)12-8-4-3-5-9-12/h3-6,8-10,13H,2,7,11H2,1H3
InChIKeyGJPCWTSPPJXXFY-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.15
Rot. Bonds2

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

ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 14846886) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID14846886
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Nameethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CCC=CC1c1ccccc1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)15-11-7-6-10-13(15)12-8-4-3-5-9-12/h3-6,8-10,13H,2,7,11H2,1H3
InChIKeyGJPCWTSPPJXXFY-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tebutam
CID 92299
Encyprate
CID 17298
Ethyl benzylcarbamate
CID 75801
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
CID 9839774
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-[(2S)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
CID 10781420
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
Methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
Methyl 2,3-diphenylaziridine-1-carboxylate
CID 2832767
Ethyl 4-(2-phenylethyl)-1-piperazinecarboxylate
CID 783195
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247

Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 14846886) is ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CCC=CC1c1ccccc1.
What is the InChIKey of ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is GJPCWTSPPJXXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-14(16)15-11-7-6-10-13(15)12-8-4-3-5-9-12/h3-6,8-10,13H,2,7,11H2,1H3.
What are the key properties of ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 231.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 14846886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).