1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine

C20H25NOS — CID 57311145

IUPAC1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine
SMILESCOC(c1cccc2c1CCCC2)N1CCC(c2cccs2)C1
InChIInChI=1S/C20H25NOS/c1-22-20(18-9-4-7-15-6-2-3-8-17(15)18)21-12-11-16(14-21)19-10-5-13-23-19/h4-5,7,9-10,13,16,20H,2-3,6,8,11-12,14H2,1H3
InChIKeyXBZRLFVRBHDUGM-UHFFFAOYSA-N
MW327.49 g/mol
LogP4.76
Rot. Bonds4

About 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine

1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine (PubChem CID 57311145) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine
PubChem CID57311145
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine
SMILESCOC(c1cccc2c1CCCC2)N1CCC(c2cccs2)C1
InChIInChI=1S/C20H25NOS/c1-22-20(18-9-4-7-15-6-2-3-8-17(15)18)21-12-11-16(14-21)19-10-5-13-23-19/h4-5,7,9-10,13,16,20H,2-3,6,8,11-12,14H2,1H3
InChIKeyXBZRLFVRBHDUGM-UHFFFAOYSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine (CID 57311145) is 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine is COC(c1cccc2c1CCCC2)N1CCC(c2cccs2)C1.
What is the InChIKey of 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine?
The InChIKey is XBZRLFVRBHDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-22-20(18-9-4-7-15-6-2-3-8-17(15)18)21-12-11-16(14-21)19-10-5-13-23-19/h4-5,7,9-10,13,16,20H,2-3,6,8,11-12,14H2,1H3.
What are the key properties of 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine?
1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine has a molecular weight of 327.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 57311145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).