2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione

C19H14O3 — CID 27112634

IUPAC2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione
SMILESC=CCOc1cccc(C=C2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H14O3/c1-2-10-22-14-7-5-6-13(11-14)12-17-18(20)15-8-3-4-9-16(15)19(17)21/h2-9,11-12H,1,10H2
InChIKeyAIQAPMFYEZKTGX-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.71
Rot. Bonds4

About 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione

2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione (PubChem CID 27112634) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione
PubChem CID27112634
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione
SMILESC=CCOc1cccc(C=C2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H14O3/c1-2-10-22-14-7-5-6-13(11-14)12-17-18(20)15-8-3-4-9-16(15)19(17)21/h2-9,11-12H,1,10H2
InChIKeyAIQAPMFYEZKTGX-UHFFFAOYSA-N
XLogP3.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione with MolForge

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Related Compounds

3-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenoxy]propanoic acid
CID 51099531
1,3-dimethyl-5-[(3-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 27112367
2-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]indene-1,3-dione
CID 126394548
(5Z)-5-[(3-prop-2-enoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 11010720
(5Z)-2-amino-5-[(3-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2182073
(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199434
(5E)-5-[(3-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2295863
1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene
CID 170196705
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611
2-(4-iodophenyl)-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2875207
(4Z)-2-(3,4-dichlorophenyl)-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19672599
(3-prop-2-enoxyphenyl)azanium
CID 59822882

Frequently Asked Questions

What is the IUPAC name of 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione?
The IUPAC name of 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione (CID 27112634) is 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione?
The canonical SMILES for 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione is C=CCOc1cccc(C=C2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione?
The InChIKey is AIQAPMFYEZKTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-2-10-22-14-7-5-6-13(11-14)12-17-18(20)15-8-3-4-9-16(15)19(17)21/h2-9,11-12H,1,10H2.
What are the key properties of 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione?
2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione has a molecular weight of 290.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione is sourced from PubChem (CID 27112634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).