methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate

C9H10ClNO2S — CID 83911673

IUPACmethyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate
SMILESCOC(=O)C1(N)CCc2sc(Cl)cc21
InChIInChI=1S/C9H10ClNO2S/c1-13-8(12)9(11)3-2-6-5(9)4-7(10)14-6/h4H,2-3,11H2,1H3
InChIKeyFSYUDWUWUUNFNF-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.67
Rot. Bonds1

About methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate

methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate (PubChem CID 83911673) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate
PubChem CID83911673
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Namemethyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate
SMILESCOC(=O)C1(N)CCc2sc(Cl)cc21
InChIInChI=1S/C9H10ClNO2S/c1-13-8(12)9(11)3-2-6-5(9)4-7(10)14-6/h4H,2-3,11H2,1H3
InChIKeyFSYUDWUWUUNFNF-UHFFFAOYSA-N
XLogP1.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate?
The IUPAC name of methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate (CID 83911673) is methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate.
What is the SMILES notation for methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate?
The canonical SMILES for methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate is COC(=O)C1(N)CCc2sc(Cl)cc21.
What is the InChIKey of methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate?
The InChIKey is FSYUDWUWUUNFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-13-8(12)9(11)3-2-6-5(9)4-7(10)14-6/h4H,2-3,11H2,1H3.
What are the key properties of methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate?
methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate has a molecular weight of 231.70 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate is sourced from PubChem (CID 83911673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).