1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one

C12H19NO2 — CID 147714864

IUPAC1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one
SMILESCC(=O)N1CCC2(CC2)[C@H]1C(=O)C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)10(15)11-12(4-5-12)6-7-13(11)9(3)14/h8,11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyGVKSIZUUTLVOHT-LLVKDONJSA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds2

About 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one

1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one (PubChem CID 147714864) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one
PubChem CID147714864
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one
SMILESCC(=O)N1CCC2(CC2)[C@H]1C(=O)C(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)10(15)11-12(4-5-12)6-7-13(11)9(3)14/h8,11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyGVKSIZUUTLVOHT-LLVKDONJSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one
CID 170609939
2-methyl-1-(2,3,3-trimethylpyrrolidin-1-yl)propan-1-one
CID 170767616
2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one
CID 91129549
1-[(4R)-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidin-4-yl]-2-methylpropan-1-one
CID 155249119
5-O-tert-butyl 4-O-ethyl 5-azaspiro[2.4]heptane-4,5-dicarboxylate
CID 118332036
1-[4-(1-bromoethyl)piperidin-1-yl]ethanone
CID 106839275
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one
CID 71028873
1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one
CID 90129359
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675460

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one (CID 147714864) is 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one is CC(=O)N1CCC2(CC2)[C@H]1C(=O)C(C)C.
What is the InChIKey of 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one?
The InChIKey is GVKSIZUUTLVOHT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)10(15)11-12(4-5-12)6-7-13(11)9(3)14/h8,11H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one?
1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 147714864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).