benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate

C22H23NO3 — CID 134933309

IUPACbenzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCO/C(=C\c1ccccc1)C1=CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H23NO3/c1-25-21(16-18-10-4-2-5-11-18)20-14-8-9-15-23(20)22(24)26-17-19-12-6-3-7-13-19/h2-7,10-14,16H,8-9,15,17H2,1H3/b21-16-
InChIKeyMOGJMOHKDPYJCJ-PGMHBOJBSA-N
MW349.43 g/mol
LogP4.99
Rot. Bonds5

About benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate

benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134933309) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID134933309
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Namebenzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCO/C(=C\c1ccccc1)C1=CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H23NO3/c1-25-21(16-18-10-4-2-5-11-18)20-14-8-9-15-23(20)22(24)26-17-19-12-6-3-7-13-19/h2-7,10-14,16H,8-9,15,17H2,1H3/b21-16-
InChIKeyMOGJMOHKDPYJCJ-PGMHBOJBSA-N
XLogP4.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-O-benzyl 3-O-methyl 2-oxopiperidine-1,3-dicarboxylate
CID 54081936
methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768380
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
3-O-benzyl 1-O-methyl (2Z)-2-benzylidenepropanedioate
CID 14168531
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 3,4-dihydro-2H-pyridine-1-carboxylate
CID 15637681
ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768490
benzyl piperidine-1-carboxylate
CID 158057698
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 3-(2-anilino-2-methoxyethylidene)-2-oxopyrrolidine-1-carboxylate
CID 140667098
benzyl 2-cyanopyrazolidine-1-carboxylate
CID 11564880

Frequently Asked Questions

What is the IUPAC name of benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 134933309) is benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate is CO/C(=C\c1ccccc1)C1=CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is MOGJMOHKDPYJCJ-PGMHBOJBSA-N. The full InChI is InChI=1S/C22H23NO3/c1-25-21(16-18-10-4-2-5-11-18)20-14-8-9-15-23(20)22(24)26-17-19-12-6-3-7-13-19/h2-7,10-14,16H,8-9,15,17H2,1H3/b21-16-.
What are the key properties of benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-[(Z)-1-methoxy-2-phenylethenyl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134933309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).