2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

C15H28N2O2 — CID 57199383

IUPAC2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCC(C)C1(C)NC(=O)C2(CC(C)(C)NC(C)(C)C2)O1
InChIInChI=1S/C15H28N2O2/c1-10(2)14(7)16-11(18)15(19-14)8-12(3,4)17-13(5,6)9-15/h10,17H,8-9H2,1-7H3,(H,16,18)
InChIKeyDCEINTKOLYATLN-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.18
Rot. Bonds1

About 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 57199383) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID57199383
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCC(C)C1(C)NC(=O)C2(CC(C)(C)NC(C)(C)C2)O1
InChIInChI=1S/C15H28N2O2/c1-10(2)14(7)16-11(18)15(19-14)8-12(3,4)17-13(5,6)9-15/h10,17H,8-9H2,1-7H3,(H,16,18)
InChIKeyDCEINTKOLYATLN-UHFFFAOYSA-N
XLogP2.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 57199383) is 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is CC(C)C1(C)NC(=O)C2(CC(C)(C)NC(C)(C)C2)O1.
What is the InChIKey of 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is DCEINTKOLYATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(2)14(7)16-11(18)15(19-14)8-12(3,4)17-13(5,6)9-15/h10,17H,8-9H2,1-7H3,(H,16,18).
What are the key properties of 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 268.40 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7,9,9-pentamethyl-2-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 57199383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).