1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one

C20H29NO2 — CID 3048522

IUPAC1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one
SMILESCCCCC(=O)c1ccc(OC)c2c1C(N1CCCC1)CCC2
InChIInChI=1S/C20H29NO2/c1-3-4-10-18(22)15-11-12-19(23-2)16-8-7-9-17(20(15)16)21-13-5-6-14-21/h11-12,17H,3-10,13-14H2,1-2H3
InChIKeyWGEUSLIIPRZDEA-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.54
Rot. Bonds6

About 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one

1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one (PubChem CID 3048522) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one
PubChem CID3048522
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one
SMILESCCCCC(=O)c1ccc(OC)c2c1C(N1CCCC1)CCC2
InChIInChI=1S/C20H29NO2/c1-3-4-10-18(22)15-11-12-19(23-2)16-8-7-9-17(20(15)16)21-13-5-6-14-21/h11-12,17H,3-10,13-14H2,1-2H3
InChIKeyWGEUSLIIPRZDEA-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 21120088
1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
CID 3048231
3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 117338427
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
N-(1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-yl)-3-butanoyl-4-ethoxybenzamide;hydrochloride
CID 70204387
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43161666
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
5-bromo-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 146007223
1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one
CID 70458258
1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one
CID 10087077

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one?
The IUPAC name of 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one (CID 3048522) is 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one.
What is the SMILES notation for 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one?
The canonical SMILES for 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one is CCCCC(=O)c1ccc(OC)c2c1C(N1CCCC1)CCC2.
What is the InChIKey of 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one?
The InChIKey is WGEUSLIIPRZDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-3-4-10-18(22)15-11-12-19(23-2)16-8-7-9-17(20(15)16)21-13-5-6-14-21/h11-12,17H,3-10,13-14H2,1-2H3.
What are the key properties of 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one?
1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one has a molecular weight of 315.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one is sourced from PubChem (CID 3048522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).