(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone

C11H15NOS — CID 18711915

IUPAC(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC2C)s1
InChIInChI=1S/C11H15NOS/c1-8-4-3-7-12(8)11(13)10-6-5-9(2)14-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyGKCJYNWJQDEPNJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.68
Rot. Bonds1

About (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone

(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 18711915) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID18711915
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC2C)s1
InChIInChI=1S/C11H15NOS/c1-8-4-3-7-12(8)11(13)10-6-5-9(2)14-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyGKCJYNWJQDEPNJ-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
CID 130645542
2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone
CID 91232807
tert-butyl (2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 81004290
(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61102350
(5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 131701990
(2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 64979980
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone
CID 46082814
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone (CID 18711915) is (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCCC2C)s1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is GKCJYNWJQDEPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-4-3-7-12(8)11(13)10-6-5-9(2)14-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone?
(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 209.31 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 18711915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).