5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate

C17H17NO3 — CID 90424760

IUPAC5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCc1ccc2c(c1)CCCC2)n1ccccc1=O
InChIInChI=1S/C17H17NO3/c19-16-7-3-4-10-18(16)17(20)21-12-13-8-9-14-5-1-2-6-15(14)11-13/h3-4,7-11H,1-2,5-6,12H2
InChIKeyZZNPDHBVDXYWQL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.91
Rot. Bonds2

About 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate

5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate (PubChem CID 90424760) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate
PubChem CID90424760
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCc1ccc2c(c1)CCCC2)n1ccccc1=O
InChIInChI=1S/C17H17NO3/c19-16-7-3-4-10-18(16)17(20)21-12-13-8-9-14-5-1-2-6-15(14)11-13/h3-4,7-11H,1-2,5-6,12H2
InChIKeyZZNPDHBVDXYWQL-UHFFFAOYSA-N
XLogP2.91
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-anthrylmethyl N,N-diethylcarbamate
CID 58444338
[4-[4-(Trifluoromethyl)phenyl]phenyl]methyl 2-oxopyridine-1-carboxylate
CID 89588890
[4-(2-Fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate
CID 90425504
1-Methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one
CID 10826532
Methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58406616
Methyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407123
(2,4,6-trimethylphenyl)methyl 1H-isoquinoline-2-carboxylate
CID 66654028
(2,4-dimethylphenyl)methyl 1H-isoquinoline-2-carboxylate
CID 66654824
naphthalen-2-ylmethyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 66781418
naphthalen-2-ylmethyl 2,5-dihydro-1H-pyrrole-1-carboxylate
CID 66781493
Phenanthren-1-ylmethyl 1,4-oxazine-4-carboxylate
CID 87577724
(4-Phenylphenyl)methyl 2-oxopyridine-1-carboxylate
CID 89588667

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate (CID 90424760) is 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate is O=C(OCc1ccc2c(c1)CCCC2)n1ccccc1=O.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate?
The InChIKey is ZZNPDHBVDXYWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16-7-3-4-10-18(16)17(20)21-12-13-8-9-14-5-1-2-6-15(14)11-13/h3-4,7-11H,1-2,5-6,12H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate?
5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-ylmethyl 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 90424760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).