1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one

C18H21NO2 — CID 82050990

IUPAC1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc2ccccc2c1C(=O)CCN1CCCC1
InChIInChI=1S/C18H21NO2/c1-21-17-9-8-14-6-2-3-7-15(14)18(17)16(20)10-13-19-11-4-5-12-19/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeyGRUXGPFHQMRSFN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.52
Rot. Bonds5

About 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 82050990) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID82050990
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc2ccccc2c1C(=O)CCN1CCCC1
InChIInChI=1S/C18H21NO2/c1-21-17-9-8-14-6-2-3-7-15(14)18(17)16(20)10-13-19-11-4-5-12-19/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeyGRUXGPFHQMRSFN-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052523
3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
CID 139708502
4-chloro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 82051001
1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 82050994
5-bromo-1-(2-methoxynaphthalen-1-yl)pentan-1-one
CID 146007275
3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one
CID 93193167
1-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263022
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide
CID 20987051
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 82050990) is 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one is COc1ccc2ccccc2c1C(=O)CCN1CCCC1.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GRUXGPFHQMRSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-17-9-8-14-6-2-3-7-15(14)18(17)16(20)10-13-19-11-4-5-12-19/h2-3,6-9H,4-5,10-13H2,1H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 82050990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).