(3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one

C10H13NOS — CID 13394148

IUPAC(3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1C[C@H](Cc2cccs2)NC1=O
InChIInChI=1S/C10H13NOS/c1-7-5-8(11-10(7)12)6-9-3-2-4-13-9/h2-4,7-8H,5-6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyWMFWNCRXGCDGSS-HTQZYQBOSA-N
MW195.29 g/mol
LogP1.82
Rot. Bonds2

About (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one

(3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 13394148) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID13394148
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1C[C@H](Cc2cccs2)NC1=O
InChIInChI=1S/C10H13NOS/c1-7-5-8(11-10(7)12)6-9-3-2-4-13-9/h2-4,7-8H,5-6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyWMFWNCRXGCDGSS-HTQZYQBOSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 13394148) is (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one is C[C@@H]1C[C@H](Cc2cccs2)NC1=O.
What is the InChIKey of (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is WMFWNCRXGCDGSS-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-5-8(11-10(7)12)6-9-3-2-4-13-9/h2-4,7-8H,5-6H2,1H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
(3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 195.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 13394148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).