3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine

C9H10ClNS — CID 107360840

IUPAC3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine
SMILESNC1C=C(c2sccc2Cl)CC1
InChIInChI=1S/C9H10ClNS/c10-8-3-4-12-9(8)6-1-2-7(11)5-6/h3-5,7H,1-2,11H2
InChIKeyUCLZAETUMSDKRB-UHFFFAOYSA-N
MW199.71 g/mol
LogP2.91
Rot. Bonds1

About 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine

3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine (PubChem CID 107360840) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine
PubChem CID107360840
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine
SMILESNC1C=C(c2sccc2Cl)CC1
InChIInChI=1S/C9H10ClNS/c10-8-3-4-12-9(8)6-1-2-7(11)5-6/h3-5,7H,1-2,11H2
InChIKeyUCLZAETUMSDKRB-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine (CID 107360840) is 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine is NC1C=C(c2sccc2Cl)CC1.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine?
The InChIKey is UCLZAETUMSDKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c10-8-3-4-12-9(8)6-1-2-7(11)5-6/h3-5,7H,1-2,11H2.
What are the key properties of 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine?
3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine has a molecular weight of 199.71 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 107360840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).