4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine

C15H16ClNS — CID 66459149

IUPAC4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine
SMILESCC(c1ccncc1)C(Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H16ClNS/c1-10(11-5-7-17-8-6-11)15(16)14-9-12-3-2-4-13(12)18-14/h5-10,15H,2-4H2,1H3
InChIKeyGDAYHIAOLWRSSK-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.72
Rot. Bonds3

About 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine

4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine (PubChem CID 66459149) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine
PubChem CID66459149
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine
SMILESCC(c1ccncc1)C(Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H16ClNS/c1-10(11-5-7-17-8-6-11)15(16)14-9-12-3-2-4-13(12)18-14/h5-10,15H,2-4H2,1H3
InChIKeyGDAYHIAOLWRSSK-UHFFFAOYSA-N
XLogP4.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
N-(2-pyridin-4-ylethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81343232
2-[chloro-(4-propan-2-yloxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63432379
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
N-[(1R)-1-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 40551890
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol
CID 115833942
(4-butan-2-ylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43464272
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832035
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]butan-1-amine
CID 115704845
(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
CID 61086819
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine (CID 66459149) is 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine is CC(c1ccncc1)C(Cl)c1cc2c(s1)CCC2.
What is the InChIKey of 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine?
The InChIKey is GDAYHIAOLWRSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-10(11-5-7-17-8-6-11)15(16)14-9-12-3-2-4-13(12)18-14/h5-10,15H,2-4H2,1H3.
What are the key properties of 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine?
4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine has a molecular weight of 277.82 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-yl]pyridine is sourced from PubChem (CID 66459149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).