1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone

C9H11NOS — CID 65354676

IUPAC1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
SMILESCC(=O)c1c(N)sc2c1CCC2
InChIInChI=1S/C9H11NOS/c1-5(11)8-6-3-2-4-7(6)12-9(8)10/h2-4,10H2,1H3
InChIKeyBWVFRMWWDMKVNA-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.02
Rot. Bonds1

About 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone

1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone (PubChem CID 65354676) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
PubChem CID65354676
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
SMILESCC(=O)c1c(N)sc2c1CCC2
InChIInChI=1S/C9H11NOS/c1-5(11)8-6-3-2-4-7(6)12-9(8)10/h2-4,10H2,1H3
InChIKeyBWVFRMWWDMKVNA-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
CID 860207
1-(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanone
CID 86155962
1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone
CID 65354828
2-amino-N,N-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 43174823
2-amino-N-(3-methoxypropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide;hydrochloride
CID 84818761
2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 843789
propyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4551419
1-(2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanone
CID 65355129
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-fluorophenyl)methanone
CID 11129084
1-(4-amino-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-3-yl)ethanone
CID 65354731
2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 155388911

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone?
The IUPAC name of 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone (CID 65354676) is 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone is CC(=O)c1c(N)sc2c1CCC2.
What is the InChIKey of 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone?
The InChIKey is BWVFRMWWDMKVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-5(11)8-6-3-2-4-7(6)12-9(8)10/h2-4,10H2,1H3.
What are the key properties of 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone?
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone has a molecular weight of 181.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone is sourced from PubChem (CID 65354676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).