4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one

C13H18ClNOS — CID 66106371

IUPAC4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1(C)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNOS/c1-8(2)6-9-13(3,7-12(16)15-9)10-4-5-11(14)17-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyHDQAGFTVUBAALL-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.59
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one

4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 66106371) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID66106371
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1(C)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNOS/c1-8(2)6-9-13(3,7-12(16)15-9)10-4-5-11(14)17-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyHDQAGFTVUBAALL-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one (CID 66106371) is 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1NC(=O)CC1(C)c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is HDQAGFTVUBAALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-8(2)6-9-13(3,7-12(16)15-9)10-4-5-11(14)17-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one?
4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 271.81 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 66106371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).