2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one

C8H10N2OS — CID 139307663

IUPAC2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESCN(C)c1cc2c(s1)C(=O)NC2
InChIInChI=1S/C8H10N2OS/c1-10(2)6-3-5-4-9-8(11)7(5)12-6/h3H,4H2,1-2H3,(H,9,11)
InChIKeyKOCOMBBFBDHJJP-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.06
Rot. Bonds1

About 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one

2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one (PubChem CID 139307663) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one
PubChem CID139307663
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESCN(C)c1cc2c(s1)C(=O)NC2
InChIInChI=1S/C8H10N2OS/c1-10(2)6-3-5-4-9-8(11)7(5)12-6/h3H,4H2,1-2H3,(H,9,11)
InChIKeyKOCOMBBFBDHJJP-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The IUPAC name of 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one (CID 139307663) is 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one is CN(C)c1cc2c(s1)C(=O)NC2.
What is the InChIKey of 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The InChIKey is KOCOMBBFBDHJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-10(2)6-3-5-4-9-8(11)7(5)12-6/h3H,4H2,1-2H3,(H,9,11).
What are the key properties of 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one has a molecular weight of 182.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 139307663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).