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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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).