8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione

C12H11NO2 — CID 68575867

IUPAC8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione
SMILESC=C/N=C1\CCCC2=C1C(=O)C=CC2=O
InChIInChI=1S/C12H11NO2/c1-2-13-9-5-3-4-8-10(14)6-7-11(15)12(8)9/h2,6-7H,1,3-5H2/b13-9+
InChIKeyFBPNAUBKGLCQFG-UKTHLTGXSA-N
MW201.22 g/mol
LogP1.76
Rot. Bonds1

About 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione

8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione (PubChem CID 68575867) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione.

Molecular Properties

Compound Name8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione
PubChem CID68575867
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione
SMILESC=C/N=C1\CCCC2=C1C(=O)C=CC2=O
InChIInChI=1S/C12H11NO2/c1-2-13-9-5-3-4-8-10(14)6-7-11(15)12(8)9/h2,6-7H,1,3-5H2/b13-9+
InChIKeyFBPNAUBKGLCQFG-UKTHLTGXSA-N
XLogP1.76
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione?
The IUPAC name of 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione (CID 68575867) is 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione.
What is the SMILES notation for 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione?
The canonical SMILES for 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione is C=C/N=C1\CCCC2=C1C(=O)C=CC2=O.
What is the InChIKey of 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione?
The InChIKey is FBPNAUBKGLCQFG-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-13-9-5-3-4-8-10(14)6-7-11(15)12(8)9/h2,6-7H,1,3-5H2/b13-9+.
What are the key properties of 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione?
8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione has a molecular weight of 201.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenylimino-6,7-dihydro-5H-naphthalene-1,4-dione is sourced from PubChem (CID 68575867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).