(Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine

C9H12ClNS — CID 63970093

IUPAC(Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine
SMILESC/C(=C/CCN)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNS/c1-7(3-2-6-11)8-4-5-9(10)12-8/h3-5H,2,6,11H2,1H3/b7-3-
InChIKeyRRMCDQVEPCCKHE-CLTKARDFSA-N
MW201.72 g/mol
LogP3.15
Rot. Bonds3

About (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine

(Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine (PubChem CID 63970093) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine
PubChem CID63970093
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name(Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine
SMILESC/C(=C/CCN)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNS/c1-7(3-2-6-11)8-4-5-9(10)12-8/h3-5H,2,6,11H2,1H3/b7-3-
InChIKeyRRMCDQVEPCCKHE-CLTKARDFSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine (CID 63970093) is (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine is C/C(=C/CCN)c1ccc(Cl)s1.
What is the InChIKey of (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine?
The InChIKey is RRMCDQVEPCCKHE-CLTKARDFSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-7(3-2-6-11)8-4-5-9(10)12-8/h3-5H,2,6,11H2,1H3/b7-3-.
What are the key properties of (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine?
(Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine has a molecular weight of 201.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-chlorothiophen-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 63970093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).