3-tert-butyl-3-azaspiro[5.5]undecan-10-one

C14H25NO — CID 160927824

IUPAC3-tert-butyl-3-azaspiro[5.5]undecan-10-one
SMILESCC(C)(C)N1CCC2(CCCC(=O)C2)CC1
InChIInChI=1S/C14H25NO/c1-13(2,3)15-9-7-14(8-10-15)6-4-5-12(16)11-14/h4-11H2,1-3H3
InChIKeyYTEVLDORUUMNDG-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds

About 3-tert-butyl-3-azaspiro[5.5]undecan-10-one

3-tert-butyl-3-azaspiro[5.5]undecan-10-one (PubChem CID 160927824) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-tert-butyl-3-azaspiro[5.5]undecan-10-one.

Molecular Properties

Compound Name3-tert-butyl-3-azaspiro[5.5]undecan-10-one
PubChem CID160927824
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-tert-butyl-3-azaspiro[5.5]undecan-10-one
SMILESCC(C)(C)N1CCC2(CCCC(=O)C2)CC1
InChIInChI=1S/C14H25NO/c1-13(2,3)15-9-7-14(8-10-15)6-4-5-12(16)11-14/h4-11H2,1-3H3
InChIKeyYTEVLDORUUMNDG-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azaspiro[5.5]undecan-10-one?
The IUPAC name of 3-tert-butyl-3-azaspiro[5.5]undecan-10-one (CID 160927824) is 3-tert-butyl-3-azaspiro[5.5]undecan-10-one.
What is the SMILES notation for 3-tert-butyl-3-azaspiro[5.5]undecan-10-one?
The canonical SMILES for 3-tert-butyl-3-azaspiro[5.5]undecan-10-one is CC(C)(C)N1CCC2(CCCC(=O)C2)CC1.
What is the InChIKey of 3-tert-butyl-3-azaspiro[5.5]undecan-10-one?
The InChIKey is YTEVLDORUUMNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2,3)15-9-7-14(8-10-15)6-4-5-12(16)11-14/h4-11H2,1-3H3.
What are the key properties of 3-tert-butyl-3-azaspiro[5.5]undecan-10-one?
3-tert-butyl-3-azaspiro[5.5]undecan-10-one has a molecular weight of 223.36 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azaspiro[5.5]undecan-10-one is sourced from PubChem (CID 160927824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).