1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

C15H19NO5 — CID 102072542

IUPAC1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESC=CCC1CC2(C=C(OC)C(=O)C(OC)=C2)N(OC)C1=O
InChIInChI=1S/C15H19NO5/c1-5-6-10-7-15(16(21-4)14(10)18)8-11(19-2)13(17)12(9-15)20-3/h5,8-10H,1,6-7H2,2-4H3
InChIKeyOLIMNJYGLUILER-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.35
Rot. Bonds5

About 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 102072542) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID102072542
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESC=CCC1CC2(C=C(OC)C(=O)C(OC)=C2)N(OC)C1=O
InChIInChI=1S/C15H19NO5/c1-5-6-10-7-15(16(21-4)14(10)18)8-11(19-2)13(17)12(9-15)20-3/h5,8-10H,1,6-7H2,2-4H3
InChIKeyOLIMNJYGLUILER-UHFFFAOYSA-N
XLogP1.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,7-Dimethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101401535
(1-Methoxy-2,8-dioxo-1-azaspiro[4.5]deca-6,9-dien-7-yl) acetate
CID 101444597
1,7-Dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 102072541

Frequently Asked Questions

What is the IUPAC name of 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 102072542) is 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is C=CCC1CC2(C=C(OC)C(=O)C(OC)=C2)N(OC)C1=O.
What is the InChIKey of 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is OLIMNJYGLUILER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-5-6-10-7-15(16(21-4)14(10)18)8-11(19-2)13(17)12(9-15)20-3/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 293.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,9-trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 102072542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).