5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one

C9H16N2O2 — CID 105441178

IUPAC5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
SMILESCC(O)CN1C(=O)CC2(CC2)N1C
InChIInChI=1S/C9H16N2O2/c1-7(12)6-11-8(13)5-9(3-4-9)10(11)2/h7,12H,3-6H2,1-2H3
InChIKeyQYFCJZLPLIIWSO-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.02
Rot. Bonds2

About 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one

5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one (PubChem CID 105441178) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one.

Molecular Properties

Compound Name5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
PubChem CID105441178
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
SMILESCC(O)CN1C(=O)CC2(CC2)N1C
InChIInChI=1S/C9H16N2O2/c1-7(12)6-11-8(13)5-9(3-4-9)10(11)2/h7,12H,3-6H2,1-2H3
InChIKeyQYFCJZLPLIIWSO-UHFFFAOYSA-N
XLogP-0.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
CID 105441177
2-(1-methyl-3-oxo-1,2-diazaspiro[4.4]nonan-2-yl)acetic acid
CID 105465896
5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one
CID 105464207
1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298071
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
CID 105435195
2-(2-aminopropyl)-5-cyclopropyl-1,5-dimethylpyrazolidin-3-one
CID 105465242
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407
2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105467609
4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 1203177
1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one
CID 105451683
2-[(2S)-2-hydroxypropyl]-3,4-dimethyl-1H-pyrazol-5-one
CID 177341906

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one?
The IUPAC name of 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one (CID 105441178) is 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one.
What is the SMILES notation for 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one?
The canonical SMILES for 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one is CC(O)CN1C(=O)CC2(CC2)N1C.
What is the InChIKey of 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one?
The InChIKey is QYFCJZLPLIIWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(12)6-11-8(13)5-9(3-4-9)10(11)2/h7,12H,3-6H2,1-2H3.
What are the key properties of 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one?
5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one has a molecular weight of 184.24 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one is sourced from PubChem (CID 105441178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).