1H-indol-3-yl(thiophen-2-yl)methanone

C13H9NOS — CID 965840

IUPAC1H-indol-3-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C13H9NOS/c15-13(12-6-3-7-16-12)10-8-14-11-5-2-1-4-9(10)11/h1-8,14H
InChIKeyBVOLLNOZJTUTPD-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.46
Rot. Bonds2

About 1H-indol-3-yl(thiophen-2-yl)methanone

1H-indol-3-yl(thiophen-2-yl)methanone (PubChem CID 965840) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 1H-indol-3-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl(thiophen-2-yl)methanone
PubChem CID965840
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name1H-indol-3-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C13H9NOS/c15-13(12-6-3-7-16-12)10-8-14-11-5-2-1-4-9(10)11/h1-8,14H
InChIKeyBVOLLNOZJTUTPD-UHFFFAOYSA-N
XLogP3.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(thiophen-2-yl)methanone?
The IUPAC name of 1H-indol-3-yl(thiophen-2-yl)methanone (CID 965840) is 1H-indol-3-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl(thiophen-2-yl)methanone?
The canonical SMILES for 1H-indol-3-yl(thiophen-2-yl)methanone is O=C(c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl(thiophen-2-yl)methanone?
The InChIKey is BVOLLNOZJTUTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-13(12-6-3-7-16-12)10-8-14-11-5-2-1-4-9(10)11/h1-8,14H.
What are the key properties of 1H-indol-3-yl(thiophen-2-yl)methanone?
1H-indol-3-yl(thiophen-2-yl)methanone has a molecular weight of 227.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 965840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).