1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one

C11H19NO — CID 130842982

IUPAC1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCC2)C1
InChIInChI=1S/C11H19NO/c1-10(2,3)9(13)12-7-11(8-12)5-4-6-11/h4-8H2,1-3H3
InChIKeyCBMJCAJTYNQPQJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.05
Rot. Bonds

About 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one

1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 130842982) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
PubChem CID130842982
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCC2)C1
InChIInChI=1S/C11H19NO/c1-10(2,3)9(13)12-7-11(8-12)5-4-6-11/h4-8H2,1-3H3
InChIKeyCBMJCAJTYNQPQJ-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009
1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 168727113
1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 170063585
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-1-one
CID 170540653
1-(3-acetyl-3-hydroxyazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89212314
1-(6-methanimidoyl-2,6-diazaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
CID 170408700
3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one
CID 119788804
1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one
CID 126750281
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 126750142
1-[10-(2,2-dimethylpropanoyl)-6,7,13,14,15,16,17,18-octafluoro-3,10-diazaheptacyclo[10.4.2.01,5.05,15.08,12.08,14.013,16]octadeca-6,17-dien-3-yl]-2,2-dimethylpropan-1-one
CID 102113418

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one (CID 130842982) is 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2(CCC2)C1.
What is the InChIKey of 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is CBMJCAJTYNQPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2,3)9(13)12-7-11(8-12)5-4-6-11/h4-8H2,1-3H3.
What are the key properties of 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one?
1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 130842982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).