1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one

C12H21NO2 — CID 66108745

IUPAC1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one
SMILESCC(C)CC1NC(=O)CC12CCCOC2
InChIInChI=1S/C12H21NO2/c1-9(2)6-10-12(7-11(14)13-10)4-3-5-15-8-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyHSAJCHVCRWIXMH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds2

About 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one

1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one (PubChem CID 66108745) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one
PubChem CID66108745
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one
SMILESCC(C)CC1NC(=O)CC12CCCOC2
InChIInChI=1S/C12H21NO2/c1-9(2)6-10-12(7-11(14)13-10)4-3-5-15-8-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyHSAJCHVCRWIXMH-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one (CID 66108745) is 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one is CC(C)CC1NC(=O)CC12CCCOC2.
What is the InChIKey of 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one?
The InChIKey is HSAJCHVCRWIXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)6-10-12(7-11(14)13-10)4-3-5-15-8-12/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one?
1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one has a molecular weight of 211.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66108745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).