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

C16H19NO2 — CID 10563109

IUPACbenzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCC1=CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-8-15-11-6-7-12-17(15)16(18)19-13-14-9-4-3-5-10-14/h2-5,9-11H,1,6-8,12-13H2
InChIKeyLRUMRJFVVYONOW-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.88
Rot. Bonds4

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

benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 10563109) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID10563109
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namebenzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCC1=CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-8-15-11-6-7-12-17(15)16(18)19-13-14-9-4-3-5-10-14/h2-5,9-11H,1,6-8,12-13H2
InChIKeyLRUMRJFVVYONOW-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 10563109) is benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate is C=CCC1=CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is LRUMRJFVVYONOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-8-15-11-6-7-12-17(15)16(18)19-13-14-9-4-3-5-10-14/h2-5,9-11H,1,6-8,12-13H2.
What are the key properties of benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate?
benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10563109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).