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

C14H10O2 — CID 12005104

IUPAC(2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one
SMILESO=C1/C(=C/c2ccco2)Cc2ccccc21
InChIInChI=1S/C14H10O2/c15-14-11(9-12-5-3-7-16-12)8-10-4-1-2-6-13(10)14/h1-7,9H,8H2/b11-9+
InChIKeySANDXHPIKMRKPC-PKNBQFBNSA-N
MW210.23 g/mol
LogP3.10
Rot. Bonds1

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

(2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one (PubChem CID 12005104) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one
PubChem CID12005104
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name(2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one
SMILESO=C1/C(=C/c2ccco2)Cc2ccccc21
InChIInChI=1S/C14H10O2/c15-14-11(9-12-5-3-7-16-12)8-10-4-1-2-6-13(10)14/h1-7,9H,8H2/b11-9+
InChIKeySANDXHPIKMRKPC-PKNBQFBNSA-N
XLogP3.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.10
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-(furan-2-ylmethylidene)-3H-inden-1-one?
The IUPAC name of (2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one (CID 12005104) is (2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one.
What is the SMILES notation for (2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one?
The canonical SMILES for (2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one is O=C1/C(=C/c2ccco2)Cc2ccccc21.
What is the InChIKey of (2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one?
The InChIKey is SANDXHPIKMRKPC-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H10O2/c15-14-11(9-12-5-3-7-16-12)8-10-4-1-2-6-13(10)14/h1-7,9H,8H2/b11-9+.
What are the key properties of (2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one?
(2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one has a molecular weight of 210.23 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(furan-2-ylmethylidene)-3H-inden-1-one is sourced from PubChem (CID 12005104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).