2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one

C11H20N2O — CID 121450254

IUPAC2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one
SMILESCC(C)(C)N1CCC2(CNC(=O)C2)C1
InChIInChI=1S/C11H20N2O/c1-10(2,3)13-5-4-11(8-13)6-9(14)12-7-11/h4-8H2,1-3H3,(H,12,14)
InChIKeyOGXGZBCYIXGEGH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds

About 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one

2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one (PubChem CID 121450254) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one
PubChem CID121450254
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one
SMILESCC(C)(C)N1CCC2(CNC(=O)C2)C1
InChIInChI=1S/C11H20N2O/c1-10(2,3)13-5-4-11(8-13)6-9(14)12-7-11/h4-8H2,1-3H3,(H,12,14)
InChIKeyOGXGZBCYIXGEGH-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-2,8-diazaspiro(4.5)decan-3-one
CID 10012299
tert-Butyl 8-oxo-2,7-diazaspiro(4.4)nonane-2-carboxylate
CID 57416984
2,7-Diazaspiro(4.4)nonan-3-one hydrochloride
CID 66570791
(2S)-N-[(3R)-1-(3-carbamoylpentan-3-yl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 10542995
1-{2,7-Diazaspiro[4.4]nonan-2-yl}ethanone
CID 75357359
(R)-6-Oxo-2,7-diazaspiro[4.4]nonane-2-carbonitrile
CID 137378568
2-Methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
CID 4282630
(3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone
CID 164632222
2,7-Diazaspiro[4.4]nonan-3-one
CID 23111903
1-[(5S)-2,7-diazaspiro[4.4]nonan-2-yl]-3-fluoropropan-1-one
CID 171815448
US10654853, Example 82
CID 137378551
6-Oxo-2,7-diazaspiro[4.4]nonane-2-carbonitrile
CID 137378552

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one?
The IUPAC name of 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one (CID 121450254) is 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one.
What is the SMILES notation for 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one?
The canonical SMILES for 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one is CC(C)(C)N1CCC2(CNC(=O)C2)C1.
What is the InChIKey of 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one?
The InChIKey is OGXGZBCYIXGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(2,3)13-5-4-11(8-13)6-9(14)12-7-11/h4-8H2,1-3H3,(H,12,14).
What are the key properties of 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one?
2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one has a molecular weight of 196.29 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one is sourced from PubChem (CID 121450254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).