8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione

C19H23NO4 — CID 765993

IUPAC8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
SMILESCCN(CC)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1
InChIInChI=1S/C19H23NO4/c1-3-20(4-2)15-9-7-14(8-10-15)13-16-17(21)23-19(24-18(16)22)11-5-6-12-19/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyCDMVGWJCNSKNQY-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.29
Rot. Bonds4

About 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione

8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione (PubChem CID 765993) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
PubChem CID765993
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
SMILESCCN(CC)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1
InChIInChI=1S/C19H23NO4/c1-3-20(4-2)15-9-7-14(8-10-15)13-16-17(21)23-19(24-18(16)22)11-5-6-12-19/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyCDMVGWJCNSKNQY-UHFFFAOYSA-N
XLogP3.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione (CID 765993) is 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione is CCN(CC)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1.
What is the InChIKey of 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione?
The InChIKey is CDMVGWJCNSKNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-20(4-2)15-9-7-14(8-10-15)13-16-17(21)23-19(24-18(16)22)11-5-6-12-19/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione?
8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione has a molecular weight of 329.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(diethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 765993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).