1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one

C10H13NOS — CID 162414734

IUPAC1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CCCC2=O)s1
InChIInChI=1S/C10H13NOS/c1-8-4-5-9(13-8)7-11-6-2-3-10(11)12/h4-5H,2-3,6-7H2,1H3
InChIKeyGOAWWXWVBXCKAL-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.18
Rot. Bonds2

About 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one

1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one (PubChem CID 162414734) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
PubChem CID162414734
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CCCC2=O)s1
InChIInChI=1S/C10H13NOS/c1-8-4-5-9(13-8)7-11-6-2-3-10(11)12/h4-5H,2-3,6-7H2,1H3
InChIKeyGOAWWXWVBXCKAL-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 60236671
N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 121446738
2-Sulfanylidene-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 233540
Cyto9G3
CID 2732031
N,N-dimethyl-5-oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 3811771
(5-Ethylthiophen-2-yl)(pyrrolidin-1-yl)methanone
CID 1246054
N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 121446760
N-[(4,5-dimethylthiophen-2-yl)methyl]-N,2,2-trimethylbutanamide
CID 121446771
1-(Thiophene-2-carbonyl)pyrrolidine
CID 825289
Icosa-5,8,11,14-tetraenoic acid bis-thiophen-2-ylmethyl-amide
CID 10973077
1-{[(Thien-2-ylmethyl)thio]acetyl}pyrrolidine
CID 3240804
Thiophene-2-carboxamide, N-ethyl-N-butyl-
CID 2164665

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one (CID 162414734) is 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one is Cc1ccc(CN2CCCC2=O)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is GOAWWXWVBXCKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8-4-5-9(13-8)7-11-6-2-3-10(11)12/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one?
1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 195.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 162414734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).