9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C11H16N2O3 — CID 154587119

IUPAC9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CC(=O)N1CCC2(CC1)CNC(=O)CO2
InChIInChI=1S/C11H16N2O3/c1-2-10(15)13-5-3-11(4-6-13)8-12-9(14)7-16-11/h2H,1,3-8H2,(H,12,14)
InChIKeyOWPCYBLFQXNOCS-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.32
Rot. Bonds1

About 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 154587119) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID154587119
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CC(=O)N1CCC2(CC1)CNC(=O)CO2
InChIInChI=1S/C11H16N2O3/c1-2-10(15)13-5-3-11(4-6-13)8-12-9(14)7-16-11/h2H,1,3-8H2,(H,12,14)
InChIKeyOWPCYBLFQXNOCS-UHFFFAOYSA-N
XLogP-0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 154587119) is 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=CC(=O)N1CCC2(CC1)CNC(=O)CO2.
What is the InChIKey of 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OWPCYBLFQXNOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-10(15)13-5-3-11(4-6-13)8-12-9(14)7-16-11/h2H,1,3-8H2,(H,12,14).
What are the key properties of 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 224.26 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 154587119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).