(5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone

C13H10ClNOS — CID 110714163

IUPAC(5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H10ClNOS/c14-10-3-4-11-9(8-10)5-6-15(11)13(16)12-2-1-7-17-12/h1-4,7-8H,5-6H2
InChIKeyZBBWXOPDMHQDBK-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.60
Rot. Bonds1

About (5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone

(5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone (PubChem CID 110714163) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is (5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
PubChem CID110714163
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name(5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H10ClNOS/c14-10-3-4-11-9(8-10)5-6-15(11)13(16)12-2-1-7-17-12/h1-4,7-8H,5-6H2
InChIKeyZBBWXOPDMHQDBK-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-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone (CID 110714163) is (5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCc2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone?
The InChIKey is ZBBWXOPDMHQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-10-3-4-11-9(8-10)5-6-15(11)13(16)12-2-1-7-17-12/h1-4,7-8H,5-6H2.
What are the key properties of (5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone?
(5-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone 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-chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110714163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).