4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one

C9H17NO2 — CID 130574754

IUPAC4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one
SMILESCOCC(C)C1NC(=O)C1(C)C
InChIInChI=1S/C9H17NO2/c1-6(5-12-4)7-9(2,3)8(11)10-7/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyBWHVKEDDRVXFDV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds3

About 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one

4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one (PubChem CID 130574754) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one
PubChem CID130574754
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one
SMILESCOCC(C)C1NC(=O)C1(C)C
InChIInChI=1S/C9H17NO2/c1-6(5-12-4)7-9(2,3)8(11)10-7/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyBWHVKEDDRVXFDV-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-(1-methoxypropan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 113473194
5-(1-methoxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 112575064
4-methoxy-3,3,5-trimethylpyrrolidin-2-one
CID 130010210
(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361
1-methoxypropan-2-ylcyclopentane
CID 88998786
1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one
CID 130985328
1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64956607
3-ethyl-4-(methoxymethyl)-3-methylazetidin-2-one
CID 130574887
3-butan-2-yl-6-cyclopropyl-1-(3-methoxypropyl)-6-methylpiperazine-2,5-dione
CID 64901198
3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione
CID 113473201
1-(4-methoxybutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 116500048
1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 65053001

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one?
The IUPAC name of 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one (CID 130574754) is 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one?
The canonical SMILES for 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one is COCC(C)C1NC(=O)C1(C)C.
What is the InChIKey of 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one?
The InChIKey is BWHVKEDDRVXFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(5-12-4)7-9(2,3)8(11)10-7/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one?
4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 130574754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).