4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one

C12H17NOS — CID 66106769

IUPAC4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one
SMILESCc1ccsc1C1(C)CC(=O)NC1(C)C
InChIInChI=1S/C12H17NOS/c1-8-5-6-15-10(8)12(4)7-9(14)13-11(12,2)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyPZZYCJGRKYCMEY-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.61
Rot. Bonds1

About 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one

4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one (PubChem CID 66106769) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one
PubChem CID66106769
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one
SMILESCc1ccsc1C1(C)CC(=O)NC1(C)C
InChIInChI=1S/C12H17NOS/c1-8-5-6-15-10(8)12(4)7-9(14)13-11(12,2)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyPZZYCJGRKYCMEY-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66107844
4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one
CID 66104621
4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one
CID 66106319
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5,5-trimethylpyrrolidin-2-one
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5,5-dimethyl-4-propan-2-yl-4-thiophen-2-ylpyrrolidin-2-one
CID 66106979
4-(2-fluoro-6-methoxyphenyl)-4,5,5-trimethylpyrrolidin-2-one
CID 113389402
(5R)-5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 98150794
5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 16783898
3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde
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3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol
CID 80698904
3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol
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2-(3-methylthiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 79990861

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one?
The IUPAC name of 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one (CID 66106769) is 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one is Cc1ccsc1C1(C)CC(=O)NC1(C)C.
What is the InChIKey of 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one?
The InChIKey is PZZYCJGRKYCMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-5-6-15-10(8)12(4)7-9(14)13-11(12,2)3/h5-6H,7H2,1-4H3,(H,13,14).
What are the key properties of 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one?
4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one has a molecular weight of 223.34 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 66106769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).