6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine

C14H13NS — CID 142809452

IUPAC6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine
SMILESC1=CCC=c2sc(C3=NCCC=C3)cc2=C1
InChIInChI=1S/C14H13NS/c1-2-6-11-10-14(16-13(11)8-3-1)12-7-4-5-9-15-12/h1-2,4,6-8,10H,3,5,9H2
InChIKeyCOXVWCXEQMPNOV-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.02
Rot. Bonds1

About 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine

6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine (PubChem CID 142809452) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine
PubChem CID142809452
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine
SMILESC1=CCC=c2sc(C3=NCCC=C3)cc2=C1
InChIInChI=1S/C14H13NS/c1-2-6-11-10-14(16-13(11)8-3-1)12-7-4-5-9-15-12/h1-2,4,6-8,10H,3,5,9H2
InChIKeyCOXVWCXEQMPNOV-UHFFFAOYSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 140563927
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858162
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858163
2H-thieno[2,3-c][1]benzazepine
CID 154447875
2,5-dimethyl-7H-thieno[2,3-d]azepine
CID 167073594
2,3-Dihydrocyclohepta[b][1,4]thiazine
CID 14174473
7-Methyl-3,10-dihydrocyclohepta[b][1,4]benzothiazine
CID 142842300

Frequently Asked Questions

What is the IUPAC name of 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine?
The IUPAC name of 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine (CID 142809452) is 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine.
What is the SMILES notation for 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine?
The canonical SMILES for 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine is C1=CCC=c2sc(C3=NCCC=C3)cc2=C1.
What is the InChIKey of 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine?
The InChIKey is COXVWCXEQMPNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-2-6-11-10-14(16-13(11)8-3-1)12-7-4-5-9-15-12/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine?
6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine has a molecular weight of 227.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine is sourced from PubChem (CID 142809452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).