(2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione

C16H14O2 — CID 139386028

IUPAC(2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione
SMILESC/C=C/C=C1/C(=O)c2ccccc2C(=O)/C1=C/C
InChIInChI=1S/C16H14O2/c1-3-5-8-12-11(4-2)15(17)13-9-6-7-10-14(13)16(12)18/h3-10H,1-2H3/b5-3+,11-4+,12-8+
InChIKeyOTZJBLNNCOHUSC-VLFCKUMNSA-N
MW238.29 g/mol
LogP3.51
Rot. Bonds1

About (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione

(2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione (PubChem CID 139386028) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione.

Molecular Properties

Compound Name(2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione
PubChem CID139386028
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione
SMILESC/C=C/C=C1/C(=O)c2ccccc2C(=O)/C1=C/C
InChIInChI=1S/C16H14O2/c1-3-5-8-12-11(4-2)15(17)13-9-6-7-10-14(13)16(12)18/h3-10H,1-2H3/b5-3+,11-4+,12-8+
InChIKeyOTZJBLNNCOHUSC-VLFCKUMNSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,3Z)-2,3-di(ethylidene)inden-1-one;methanamine
CID 142271193
(2E)-6-amino-2-[(Z)-but-2-enylidene]-3-methylidenenaphthalene-1,4-dione
CID 130412013
2-(2-ethylidene-3-oxoinden-1-ylidene)propanedinitrile
CID 91121184
phenanthrene-9,10-dione
CID 6763
CID 118898551
CID 118898551
ethane;bis(fluoren-9-one);methanol
CID 162250310
sodium;fluoren-9-one;hydride
CID 174594472
(2Z)-2-ethylidene-3-(1-isocyano-2-oxopropylidene)inden-1-one
CID 164989201
2-(3,3-dichloroprop-2-enylidene)indene-1,3-dione
CID 121011303
(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
CID 20759610
2-[(1E,3E)-5-(1,3-dioxoinden-2-ylidene)penta-1,3-dienyl]-3-oxoinden-1-olate
CID 20582275
(3E,4E)-3,4-di(ethylidene)-1H-2-benzoxepin-5-one
CID 130316300

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione?
The IUPAC name of (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione (CID 139386028) is (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione.
What is the SMILES notation for (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione?
The canonical SMILES for (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione is C/C=C/C=C1/C(=O)c2ccccc2C(=O)/C1=C/C.
What is the InChIKey of (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione?
The InChIKey is OTZJBLNNCOHUSC-VLFCKUMNSA-N. The full InChI is InChI=1S/C16H14O2/c1-3-5-8-12-11(4-2)15(17)13-9-6-7-10-14(13)16(12)18/h3-10H,1-2H3/b5-3+,11-4+,12-8+.
What are the key properties of (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione?
(2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione has a molecular weight of 238.29 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-[(E)-but-2-enylidene]-3-ethylidenenaphthalene-1,4-dione is sourced from PubChem (CID 139386028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).