4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one

C12H21NO2 — CID 145416269

IUPAC4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one
SMILESCC1CCC2(CC1)CC(C)(C)OC(=O)N2
InChIInChI=1S/C12H21NO2/c1-9-4-6-12(7-5-9)8-11(2,3)15-10(14)13-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOFWIAMQKEJFYLE-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.84
Rot. Bonds

About 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one

4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one (PubChem CID 145416269) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one
PubChem CID145416269
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one
SMILESCC1CCC2(CC1)CC(C)(C)OC(=O)N2
InChIInChI=1S/C12H21NO2/c1-9-4-6-12(7-5-9)8-11(2,3)15-10(14)13-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOFWIAMQKEJFYLE-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one?
The IUPAC name of 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one (CID 145416269) is 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one?
The canonical SMILES for 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one is CC1CCC2(CC1)CC(C)(C)OC(=O)N2.
What is the InChIKey of 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one?
The InChIKey is OFWIAMQKEJFYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-4-6-12(7-5-9)8-11(2,3)15-10(14)13-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one?
4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,9-trimethyl-3-oxa-1-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 145416269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).