2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde

C15H11NO2S — CID 2121152

IUPAC2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde
SMILESCc1c(C=O)c2ccccn2c1C(=O)c1cccs1
InChIInChI=1S/C15H11NO2S/c1-10-11(9-17)12-5-2-3-7-16(12)14(10)15(18)13-6-4-8-19-13/h2-9H,1H3
InChIKeyNKVXBYYGVBAWID-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde

2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde (PubChem CID 2121152) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde
PubChem CID2121152
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde
SMILESCc1c(C=O)c2ccccn2c1C(=O)c1cccs1
InChIInChI=1S/C15H11NO2S/c1-10-11(9-17)12-5-2-3-7-16(12)14(10)15(18)13-6-4-8-19-13/h2-9H,1H3
InChIKeyNKVXBYYGVBAWID-UHFFFAOYSA-N
XLogP3.35
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde
CID 82390025
2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide
CID 18576392
(3-benzoyl-2-methylindolizin-1-yl)-dimethylsulfanium
CID 3578883
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
(4-fluorophenyl)-[2-methyl-1-[(E)-1,2,4-triazol-4-yliminomethyl]indolizin-3-yl]methanone
CID 6903027
(E)-(diaminomethylideneamino)-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene]azanium
CID 135775153
N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide
CID 2312208
(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone
CID 141181646
3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 957617
5-[[2-methyl-3-(3-nitrobenzoyl)indolizin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2331531
(4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone
CID 2859585
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde?
The IUPAC name of 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde (CID 2121152) is 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde.
What is the SMILES notation for 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde?
The canonical SMILES for 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde is Cc1c(C=O)c2ccccn2c1C(=O)c1cccs1.
What is the InChIKey of 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde?
The InChIKey is NKVXBYYGVBAWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-10-11(9-17)12-5-2-3-7-16(12)14(10)15(18)13-6-4-8-19-13/h2-9H,1H3.
What are the key properties of 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde?
2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde has a molecular weight of 269.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde is sourced from PubChem (CID 2121152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).