naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate

C17H17NO2 — CID 66781418

IUPACnaphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccc2ccccc2c1)N1CC=CCC1
InChIInChI=1S/C17H17NO2/c19-17(18-10-4-1-5-11-18)20-13-14-8-9-15-6-2-3-7-16(15)12-14/h1-4,6-9,12H,5,10-11,13H2
InChIKeyHNZNCDBOUJGLMX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.74
Rot. Bonds2

About naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate

naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 66781418) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID66781418
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namenaphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate
SMILESO=C(OCc1ccc2ccccc2c1)N1CC=CCC1
InChIInChI=1S/C17H17NO2/c19-17(18-10-4-1-5-11-18)20-13-14-8-9-15-6-2-3-7-16(15)12-14/h1-4,6-9,12H,5,10-11,13H2
InChIKeyHNZNCDBOUJGLMX-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.74
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 naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate (CID 66781418) is naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate is O=C(OCc1ccc2ccccc2c1)N1CC=CCC1.
What is the InChIKey of naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is HNZNCDBOUJGLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(18-10-4-1-5-11-18)20-13-14-8-9-15-6-2-3-7-16(15)12-14/h1-4,6-9,12H,5,10-11,13H2.
What are the key properties of naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate?
naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl 3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 66781418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).