methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C9H11NO2S — CID 2818378

IUPACmethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc2c1CCC2
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-5-3-2-4-6(5)13-8(7)10/h2-4,10H2,1H3
InChIKeyXUKGZPUAFGAYHC-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.61
Rot. Bonds1

About methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 2818378) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID2818378
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc2c1CCC2
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-5-3-2-4-6(5)13-8(7)10/h2-4,10H2,1H3
InChIKeyXUKGZPUAFGAYHC-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 2818378) is methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is COC(=O)c1c(N)sc2c1CCC2.
What is the InChIKey of methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is XUKGZPUAFGAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9(11)7-5-3-2-4-6(5)13-8(7)10/h2-4,10H2,1H3.
What are the key properties of methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 2818378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).