(2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one

C15H13NO2 — CID 1471588

IUPAC(2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one
SMILESCN(C)/C=C1\Oc2ccc3ccccc3c2C1=O
InChIInChI=1S/C15H13NO2/c1-16(2)9-13-15(17)14-11-6-4-3-5-10(11)7-8-12(14)18-13/h3-9H,1-2H3/b13-9-
InChIKeyQBJQEQYZERVILO-LCYFTJDESA-N
MW239.27 g/mol
LogP2.82
Rot. Bonds1

About (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one

(2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one (PubChem CID 1471588) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one.

Molecular Properties

Compound Name(2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one
PubChem CID1471588
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one
SMILESCN(C)/C=C1\Oc2ccc3ccccc3c2C1=O
InChIInChI=1S/C15H13NO2/c1-16(2)9-13-15(17)14-11-6-4-3-5-10(11)7-8-12(14)18-13/h3-9H,1-2H3/b13-9-
InChIKeyQBJQEQYZERVILO-LCYFTJDESA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one?
The IUPAC name of (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one (CID 1471588) is (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one.
What is the SMILES notation for (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one?
The canonical SMILES for (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one is CN(C)/C=C1\Oc2ccc3ccccc3c2C1=O.
What is the InChIKey of (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one?
The InChIKey is QBJQEQYZERVILO-LCYFTJDESA-N. The full InChI is InChI=1S/C15H13NO2/c1-16(2)9-13-15(17)14-11-6-4-3-5-10(11)7-8-12(14)18-13/h3-9H,1-2H3/b13-9-.
What are the key properties of (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one?
(2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(dimethylaminomethylidene)benzo[e][1]benzofuran-1-one is sourced from PubChem (CID 1471588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).