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

C14H17NO4 — CID 102072541

IUPAC1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESC=CCC1CC2(C=CC(=O)C(OC)=C2)N(OC)C1=O
InChIInChI=1S/C14H17NO4/c1-4-5-10-8-14(15(19-3)13(10)17)7-6-11(16)12(9-14)18-2/h4,6-7,9-10H,1,5,8H2,2-3H3
InChIKeyGMXBILXOEIJDGD-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.38
Rot. Bonds4

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

1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 102072541) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID102072541
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESC=CCC1CC2(C=CC(=O)C(OC)=C2)N(OC)C1=O
InChIInChI=1S/C14H17NO4/c1-4-5-10-8-14(15(19-3)13(10)17)7-6-11(16)12(9-14)18-2/h4,6-7,9-10H,1,5,8H2,2-3H3
InChIKeyGMXBILXOEIJDGD-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-1-methoxy-3,6-dimethyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235400
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
1,7,9-Trimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 102072542

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 102072541) is 1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is C=CCC1CC2(C=CC(=O)C(OC)=C2)N(OC)C1=O.
What is the InChIKey of 1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is GMXBILXOEIJDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-4-5-10-8-14(15(19-3)13(10)17)7-6-11(16)12(9-14)18-2/h4,6-7,9-10H,1,5,8H2,2-3H3.
What are the key properties of 1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 263.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethoxy-3-prop-2-enyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 102072541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).