methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one

C11H19NO4 — CID 172612265

IUPACmethyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one
SMILESCC1CNCC2(CCOC2)C1=O.COC=O
InChIInChI=1S/C9H15NO2.C2H4O2/c1-7-4-10-5-9(8(7)11)2-3-12-6-9;1-4-2-3/h7,10H,2-6H2,1H3;2H,1H3
InChIKeyYYARVCGADSMVRJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.01
Rot. Bonds1

About methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one

methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one (PubChem CID 172612265) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one.

Molecular Properties

Compound Namemethyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one
PubChem CID172612265
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one
SMILESCC1CNCC2(CCOC2)C1=O.COC=O
InChIInChI=1S/C9H15NO2.C2H4O2/c1-7-4-10-5-9(8(7)11)2-3-12-6-9;1-4-2-3/h7,10H,2-6H2,1H3;2H,1H3
InChIKeyYYARVCGADSMVRJ-UHFFFAOYSA-N
XLogP-0.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one?
The IUPAC name of methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one (CID 172612265) is methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one.
What is the SMILES notation for methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one?
The canonical SMILES for methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one is CC1CNCC2(CCOC2)C1=O.COC=O.
What is the InChIKey of methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one?
The InChIKey is YYARVCGADSMVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C2H4O2/c1-7-4-10-5-9(8(7)11)2-3-12-6-9;1-4-2-3/h7,10H,2-6H2,1H3;2H,1H3.
What are the key properties of methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one?
methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one has a molecular weight of 229.28 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one is sourced from PubChem (CID 172612265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).