4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one

C11H17NO2 — CID 101445172

IUPAC4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one
SMILESC=CCC1OC(=O)NC12CCCCC2
InChIInChI=1S/C11H17NO2/c1-2-6-9-11(12-10(13)14-9)7-4-3-5-8-11/h2,9H,1,3-8H2,(H,12,13)
InChIKeyMNHCMMZGVBEXGN-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.37
Rot. Bonds2

About 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one

4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one (PubChem CID 101445172) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one
PubChem CID101445172
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one
SMILESC=CCC1OC(=O)NC12CCCCC2
InChIInChI=1S/C11H17NO2/c1-2-6-9-11(12-10(13)14-9)7-4-3-5-8-11/h2,9H,1,3-8H2,(H,12,13)
InChIKeyMNHCMMZGVBEXGN-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one (CID 101445172) is 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one is C=CCC1OC(=O)NC12CCCCC2.
What is the InChIKey of 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one?
The InChIKey is MNHCMMZGVBEXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-6-9-11(12-10(13)14-9)7-4-3-5-8-11/h2,9H,1,3-8H2,(H,12,13).
What are the key properties of 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one?
4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one has a molecular weight of 195.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-3-oxa-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 101445172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).