(2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one

C15H12O2 — CID 6529487

IUPAC(2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccco2)CCc2ccccc21
InChIInChI=1S/C15H12O2/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2/b12-10+
InChIKeyPDWWVCVTQZAQFE-ZRDIBKRKSA-N
MW224.26 g/mol
LogP3.49
Rot. Bonds1

About (2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one

(2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 6529487) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID6529487
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2ccco2)CCc2ccccc21
InChIInChI=1S/C15H12O2/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2/b12-10+
InChIKeyPDWWVCVTQZAQFE-ZRDIBKRKSA-N
XLogP3.49
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.49
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)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 6529487) is (2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2ccco2)CCc2ccccc21.
What is the InChIKey of (2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is PDWWVCVTQZAQFE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H12O2/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2/b12-10+.
What are the key properties of (2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2E)-2-(furan-2-ylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 224.26 g/mol, XLogP of 3.49, 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)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 6529487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).