(2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one

C14H10OS — CID 6524781

IUPAC(2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one
SMILESO=C1/C(=C/c2ccsc2)Cc2ccccc21
InChIInChI=1S/C14H10OS/c15-14-12(7-10-5-6-16-9-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2/b12-7+
InChIKeyTVLJTLQCDJYBBE-KPKJPENVSA-N
MW226.30 g/mol
LogP3.57
Rot. Bonds1

About (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one

(2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one (PubChem CID 6524781) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one
PubChem CID6524781
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name(2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one
SMILESO=C1/C(=C/c2ccsc2)Cc2ccccc21
InChIInChI=1S/C14H10OS/c15-14-12(7-10-5-6-16-9-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2/b12-7+
InChIKeyTVLJTLQCDJYBBE-KPKJPENVSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one?
The IUPAC name of (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one (CID 6524781) is (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one.
What is the SMILES notation for (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one?
The canonical SMILES for (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one is O=C1/C(=C/c2ccsc2)Cc2ccccc21.
What is the InChIKey of (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one?
The InChIKey is TVLJTLQCDJYBBE-KPKJPENVSA-N. The full InChI is InChI=1S/C14H10OS/c15-14-12(7-10-5-6-16-9-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2/b12-7+.
What are the key properties of (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one?
(2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one has a molecular weight of 226.30 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(thiophen-3-ylmethylidene)-3H-inden-1-one is sourced from PubChem (CID 6524781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).