2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one

C12H17NOS — CID 70793111

IUPAC2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one
SMILESCc1cc2c(s1)CN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C12H17NOS/c1-8-5-9-6-13(7-10(9)15-8)11(14)12(2,3)4/h5H,6-7H2,1-4H3
InChIKeyVIYZOINSQRTNEG-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.94
Rot. Bonds

About 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one

2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one (PubChem CID 70793111) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one
PubChem CID70793111
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one
SMILESCc1cc2c(s1)CN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C12H17NOS/c1-8-5-9-6-13(7-10(9)15-8)11(14)12(2,3)4/h5H,6-7H2,1-4H3
InChIKeyVIYZOINSQRTNEG-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one (CID 70793111) is 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one is Cc1cc2c(s1)CN(C(=O)C(C)(C)C)C2.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one?
The InChIKey is VIYZOINSQRTNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-5-9-6-13(7-10(9)15-8)11(14)12(2,3)4/h5H,6-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one?
2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one has a molecular weight of 223.34 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-4,6-dihydrothieno[2,3-c]pyrrol-5-yl)propan-1-one is sourced from PubChem (CID 70793111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).