1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one

C19H27NO2 — CID 70458258

IUPAC1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one
SMILESCOc1ccc(CC(=O)CCN2CCCC2)c2c1CCCC2
InChIInChI=1S/C19H27NO2/c1-22-19-9-8-15(17-6-2-3-7-18(17)19)14-16(21)10-13-20-11-4-5-12-20/h8-9H,2-7,10-14H2,1H3
InChIKeyRTFHKDWSORKZAU-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.17
Rot. Bonds6

About 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one

1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one (PubChem CID 70458258) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one
PubChem CID70458258
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one
SMILESCOc1ccc(CC(=O)CCN2CCCC2)c2c1CCCC2
InChIInChI=1S/C19H27NO2/c1-22-19-9-8-15(17-6-2-3-7-18(17)19)14-16(21)10-13-20-11-4-5-12-20/h8-9H,2-7,10-14H2,1H3
InChIKeyRTFHKDWSORKZAU-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 94855988
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 117338427
1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050990
3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 20990596
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one?
The IUPAC name of 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one (CID 70458258) is 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one.
What is the SMILES notation for 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one?
The canonical SMILES for 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one is COc1ccc(CC(=O)CCN2CCCC2)c2c1CCCC2.
What is the InChIKey of 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one?
The InChIKey is RTFHKDWSORKZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-22-19-9-8-15(17-6-2-3-7-18(17)19)14-16(21)10-13-20-11-4-5-12-20/h8-9H,2-7,10-14H2,1H3.
What are the key properties of 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one?
1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one has a molecular weight of 301.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one is sourced from PubChem (CID 70458258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).