(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'}

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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).