1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde

C11H13NO2S — CID 86196085

IUPAC1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C11H13NO2S/c13-7-10-2-1-4-12(10)11(14)6-9-3-5-15-8-9/h3,5,7-8,10H,1-2,4,6H2
InChIKeyMNLGSDJFQGXGMG-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.48
Rot. Bonds3

About 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde

1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde (PubChem CID 86196085) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde
PubChem CID86196085
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C11H13NO2S/c13-7-10-2-1-4-12(10)11(14)6-9-3-5-15-8-9/h3,5,7-8,10H,1-2,4,6H2
InChIKeyMNLGSDJFQGXGMG-UHFFFAOYSA-N
XLogP1.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[2-(chloromethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 63394541
tert-butyl (2S)-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylate
CID 81003519
(4aR,9aR)-5-methyl-1-(2-thiophen-3-ylacetyl)-2,3,4,4a,7,8,9,9a-octahydropyrido[3,2-b]azepin-6-one
CID 110124806
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 124952372
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 102738389
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 42473100
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 4881047
tert-butyl N-[[1-(2-thiophen-3-ylacetyl)pyrrolidin-2-yl]methyl]carbamate
CID 71632364
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid
CID 106742061

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde (CID 86196085) is 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde is O=CC1CCCN1C(=O)Cc1ccsc1.
What is the InChIKey of 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde?
The InChIKey is MNLGSDJFQGXGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-7-10-2-1-4-12(10)11(14)6-9-3-5-15-8-9/h3,5,7-8,10H,1-2,4,6H2.
What are the key properties of 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde?
1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde has a molecular weight of 223.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 86196085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).