5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

C15H20N2O3 — CID 155297328

IUPAC5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESC=CCNCCC1COC2(C=CC(=O)C=C2)N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-9-16-10-6-12-11-20-15(17(2)14(12)19)7-4-13(18)5-8-15/h3-5,7-8,12,16H,1,6,9-11H2,2H3
InChIKeyHMQDYJMMIOCUDX-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.65
Rot. Bonds5

About 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (PubChem CID 155297328) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.

Molecular Properties

Compound Name5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
PubChem CID155297328
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESC=CCNCCC1COC2(C=CC(=O)C=C2)N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-3-9-16-10-6-12-11-20-15(17(2)14(12)19)7-4-13(18)5-8-15/h3-5,7-8,12,16H,1,6,9-11H2,2H3
InChIKeyHMQDYJMMIOCUDX-UHFFFAOYSA-N
XLogP0.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The IUPAC name of 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (CID 155297328) is 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.
What is the SMILES notation for 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The canonical SMILES for 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is C=CCNCCC1COC2(C=CC(=O)C=C2)N(C)C1=O.
What is the InChIKey of 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The InChIKey is HMQDYJMMIOCUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-9-16-10-6-12-11-20-15(17(2)14(12)19)7-4-13(18)5-8-15/h3-5,7-8,12,16H,1,6,9-11H2,2H3.
What are the key properties of 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione has a molecular weight of 276.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is sourced from PubChem (CID 155297328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).