2-pyrrolidin-2-yl-1-thiophen-2-ylethanone

C10H13NOS — CID 71755530

IUPAC2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
SMILESO=C(CC1CCCN1)c1cccs1
InChIInChI=1S/C10H13NOS/c12-9(10-4-2-6-13-10)7-8-3-1-5-11-8/h2,4,6,8,11H,1,3,5,7H2
InChIKeyPYYRIZPEPKWFCQ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.07
Rot. Bonds3

About 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone

2-pyrrolidin-2-yl-1-thiophen-2-ylethanone (PubChem CID 71755530) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
PubChem CID71755530
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
SMILESO=C(CC1CCCN1)c1cccs1
InChIInChI=1S/C10H13NOS/c12-9(10-4-2-6-13-10)7-8-3-1-5-11-8/h2,4,6,8,11H,1,3,5,7H2
InChIKeyPYYRIZPEPKWFCQ-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-piperidin-2-yl]methoxy]-1-thiophen-2-ylethanone
CID 97165716
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
CID 119513719
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
N-cyclopropyl-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715466
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
CID 2341406
N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119513122

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone?
The IUPAC name of 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone (CID 71755530) is 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone is O=C(CC1CCCN1)c1cccs1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone?
The InChIKey is PYYRIZPEPKWFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-9(10-4-2-6-13-10)7-8-3-1-5-11-8/h2,4,6,8,11H,1,3,5,7H2.
What are the key properties of 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone?
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone has a molecular weight of 195.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-thiophen-2-ylethanone is sourced from PubChem (CID 71755530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).