furan;naphthalene-1,2-dione

C14H10O3 — CID 157089682

IUPACfuran;naphthalene-1,2-dione
SMILESO=C1C=Cc2ccccc2C1=O.c1ccoc1
InChIInChI=1S/C10H6O2.C4H4O/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;1-2-4-5-3-1/h1-6H;1-4H
InChIKeyAENCJBFXYFZMBQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.74
Rot. Bonds

About furan;naphthalene-1,2-dione

furan;naphthalene-1,2-dione (PubChem CID 157089682) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is furan;naphthalene-1,2-dione.

Molecular Properties

Compound Namefuran;naphthalene-1,2-dione
PubChem CID157089682
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Namefuran;naphthalene-1,2-dione
SMILESO=C1C=Cc2ccccc2C1=O.c1ccoc1
InChIInChI=1S/C10H6O2.C4H4O/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;1-2-4-5-3-1/h1-6H;1-4H
InChIKeyAENCJBFXYFZMBQ-UHFFFAOYSA-N
XLogP2.74
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan;naphthalene-1,2-dione?
The IUPAC name of furan;naphthalene-1,2-dione (CID 157089682) is furan;naphthalene-1,2-dione.
What is the SMILES notation for furan;naphthalene-1,2-dione?
The canonical SMILES for furan;naphthalene-1,2-dione is O=C1C=Cc2ccccc2C1=O.c1ccoc1.
What is the InChIKey of furan;naphthalene-1,2-dione?
The InChIKey is AENCJBFXYFZMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2.C4H4O/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;1-2-4-5-3-1/h1-6H;1-4H.
What are the key properties of furan;naphthalene-1,2-dione?
furan;naphthalene-1,2-dione has a molecular weight of 226.23 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;naphthalene-1,2-dione is sourced from PubChem (CID 157089682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).