4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one

C7H11NOS — CID 91518906

IUPAC4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one
SMILESCC1SCC2NC(=O)CC21
InChIInChI=1S/C7H11NOS/c1-4-5-2-7(9)8-6(5)3-10-4/h4-6H,2-3H2,1H3,(H,8,9)
InChIKeyMEUKONVGOFLLBG-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.63
Rot. Bonds

About 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one

4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one (PubChem CID 91518906) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one.

Molecular Properties

Compound Name4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one
PubChem CID91518906
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one
SMILESCC1SCC2NC(=O)CC21
InChIInChI=1S/C7H11NOS/c1-4-5-2-7(9)8-6(5)3-10-4/h4-6H,2-3H2,1H3,(H,8,9)
InChIKeyMEUKONVGOFLLBG-UHFFFAOYSA-N
XLogP0.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,6aR)-4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one;ethane
CID 145181598
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one
CID 55301160
(6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
CID 90023713
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one
CID 66106098
N-[2-[2-[2-[4-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl)butanoylamino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide
CID 162009114
(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
CID 143653948
(5S)-5-cyclopentylpyrrolidin-2-one
CID 15156533
(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one
CID 11815391
(6S)-6-methyl-1,3-diazinane-2,4-dione
CID 6951747
3,7-dimethyl-1,4-diazepan-5-one
CID 55287243

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one?
The IUPAC name of 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one (CID 91518906) is 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one.
What is the SMILES notation for 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one?
The canonical SMILES for 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one is CC1SCC2NC(=O)CC21.
What is the InChIKey of 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one?
The InChIKey is MEUKONVGOFLLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-4-5-2-7(9)8-6(5)3-10-4/h4-6H,2-3H2,1H3,(H,8,9).
What are the key properties of 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one?
4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one has a molecular weight of 157.24 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one is sourced from PubChem (CID 91518906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).