(2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione

C16H14N2O3 — CID 177461237

IUPAC(2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione
SMILESCCN1N=CC=C/C1=C1\C(=O)c2ccc(OC)cc2C1=O
InChIInChI=1S/C16H14N2O3/c1-3-18-13(5-4-8-17-18)14-15(19)11-7-6-10(21-2)9-12(11)16(14)20/h4-9H,3H2,1-2H3/b14-13-
InChIKeyQZEJVRFFYDJOQB-YPKPFQOOSA-N
MW282.30 g/mol
LogP2.21
Rot. Bonds2

About (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione

(2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione (PubChem CID 177461237) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione.

Molecular Properties

Compound Name(2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione
PubChem CID177461237
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione
SMILESCCN1N=CC=C/C1=C1\C(=O)c2ccc(OC)cc2C1=O
InChIInChI=1S/C16H14N2O3/c1-3-18-13(5-4-8-17-18)14-15(19)11-7-6-10(21-2)9-12(11)16(14)20/h4-9H,3H2,1-2H3/b14-13-
InChIKeyQZEJVRFFYDJOQB-YPKPFQOOSA-N
XLogP2.21
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734451
2-ethyl-3,6-dimethoxynaphthalene-1,4-dione
CID 19873115
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
6-methoxy-2,3-dimethylinden-1-one
CID 71441575
(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione
CID 23147999
2-methoxy-6-methylfluoren-9-one
CID 169198654
4-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 10563407
2-ethyl-6-methoxynaphthalene-1,4-dione
CID 19872659
2,3-dibromo-6-methoxyinden-1-one
CID 170703221
3-bromo-2-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-6-methoxynaphthalene-1,4-dione
CID 135411073
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
2-(furan-2-yl)-7-methoxybenzo[f][1,3]benzothiazole-4,9-dione
CID 21184412

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione?
The IUPAC name of (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione (CID 177461237) is (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione.
What is the SMILES notation for (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione?
The canonical SMILES for (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione is CCN1N=CC=C/C1=C1\C(=O)c2ccc(OC)cc2C1=O.
What is the InChIKey of (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione?
The InChIKey is QZEJVRFFYDJOQB-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-3-18-13(5-4-8-17-18)14-15(19)11-7-6-10(21-2)9-12(11)16(14)20/h4-9H,3H2,1-2H3/b14-13-.
What are the key properties of (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione?
(2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione has a molecular weight of 282.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-ethylpyridazin-3-ylidene)-5-methoxyindene-1,3-dione is sourced from PubChem (CID 177461237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).