4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one

C16H17NOS — CID 66104621

IUPAC4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one
SMILESCc1ccsc1C1(C)CC(=O)NC1c1ccccc1
InChIInChI=1S/C16H17NOS/c1-11-8-9-19-15(11)16(2)10-13(18)17-14(16)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeyCEPQKFLRUXUPNY-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.58
Rot. Bonds2

About 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one

4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one (PubChem CID 66104621) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one
PubChem CID66104621
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one
SMILESCc1ccsc1C1(C)CC(=O)NC1c1ccccc1
InChIInChI=1S/C16H17NOS/c1-11-8-9-19-15(11)16(2)10-13(18)17-14(16)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeyCEPQKFLRUXUPNY-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
CID 79852616
4,5,5-trimethyl-4-(3-methylthiophen-2-yl)pyrrolidin-2-one
CID 66106769
4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one
CID 66107823
(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
CID 138970238
1-phenyl-8-thia-2-azaspiro[4.5]decan-3-one
CID 66103731
4-(methoxymethyl)-4,5-diphenylpyrrolidin-2-one
CID 103466411
4,4-bis(2-methylpropyl)-5-phenylpyrrolidin-2-one
CID 114868876
6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
CID 81315265
8-ethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
CID 66104403
5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 16783898
(5R)-5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 98150794
5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one
CID 66103946

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one?
The IUPAC name of 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one (CID 66104621) is 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one?
The canonical SMILES for 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one is Cc1ccsc1C1(C)CC(=O)NC1c1ccccc1.
What is the InChIKey of 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one?
The InChIKey is CEPQKFLRUXUPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-8-9-19-15(11)16(2)10-13(18)17-14(16)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one?
4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one has a molecular weight of 271.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methylthiophen-2-yl)-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 66104621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).