5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one

C23H27NO3 — CID 158074275

IUPAC5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc3c(c(COC4CCCC4)c2)CC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C23H27NO3/c1-15-9-18(13-24(2)23(15)26)17-10-16-7-8-20(25)12-22(16)19(11-17)14-27-21-5-3-4-6-21/h9-11,13,21H,3-8,12,14H2,1-2H3
InChIKeyZSBSTQLTOYJMBW-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.88
Rot. Bonds4

About 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one

5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 158074275) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID158074275
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc3c(c(COC4CCCC4)c2)CC(=O)CC3)cn(C)c1=O
InChIInChI=1S/C23H27NO3/c1-15-9-18(13-24(2)23(15)26)17-10-16-7-8-20(25)12-22(16)19(11-17)14-27-21-5-3-4-6-21/h9-11,13,21H,3-8,12,14H2,1-2H3
InChIKeyZSBSTQLTOYJMBW-UHFFFAOYSA-N
XLogP3.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one with MolForge

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Related Compounds

5-[1-(cyclobutyloxymethyl)-7-oxo-6,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 152809643
5-(4-benzyl-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-1,3-dimethylpyridin-2-one
CID 149362896
6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[4-(oxan-3-ylmethoxy)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 158682903
6-bromo-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[4-(1,3-oxazol-2-ylmethoxy)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 159929180
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449
8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587591
5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one
CID 167569314
chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one
CID 145148149
7-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-3,4-dihydroquinolin-2-one;1,3-dimethyl-5-[6-oxo-4-(piperidin-1-ylmethyl)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-4-(pyridin-3-ylamino)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one;1,3-dimethyl-5-[6-oxo-4-(pyridin-2-ylmethylamino)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 157433083
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
6-bromo-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 161223377
1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 158612443

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one (CID 158074275) is 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc3c(c(COC4CCCC4)c2)CC(=O)CC3)cn(C)c1=O.
What is the InChIKey of 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is ZSBSTQLTOYJMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15-9-18(13-24(2)23(15)26)17-10-16-7-8-20(25)12-22(16)19(11-17)14-27-21-5-3-4-6-21/h9-11,13,21H,3-8,12,14H2,1-2H3.
What are the key properties of 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one?
5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 365.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 158074275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).