(5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone

C13H10ClNOS — CID 693000

IUPAC(5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCc2ccccc21
InChIInChI=1S/C13H10ClNOS/c14-12-6-5-11(17-12)13(16)15-8-7-9-3-1-2-4-10(9)15/h1-6H,7-8H2
InChIKeyCYENRNQHWAZBOJ-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.60
Rot. Bonds1

About (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone

(5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 693000) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID693000
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name(5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCc2ccccc21
InChIInChI=1S/C13H10ClNOS/c14-12-6-5-11(17-12)13(16)15-8-7-9-3-1-2-4-10(9)15/h1-6H,7-8H2
InChIKeyCYENRNQHWAZBOJ-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone (CID 693000) is (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Cl)s1)N1CCc2ccccc21.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is CYENRNQHWAZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-12-6-5-11(17-12)13(16)15-8-7-9-3-1-2-4-10(9)15/h1-6H,7-8H2.
What are the key properties of (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone?
(5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 263.75 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 693000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).