4,4-dimethyl-1-propan-2-ylazetidin-2-one

C8H15NO — CID 15269781

IUPAC4,4-dimethyl-1-propan-2-ylazetidin-2-one
SMILESCC(C)N1C(=O)CC1(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(10)5-8(9,3)4/h6H,5H2,1-4H3
InChIKeyDKFGHYPHPOVQQC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds1

About 4,4-dimethyl-1-propan-2-ylazetidin-2-one

4,4-dimethyl-1-propan-2-ylazetidin-2-one (PubChem CID 15269781) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylazetidin-2-one
PubChem CID15269781
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4,4-dimethyl-1-propan-2-ylazetidin-2-one
SMILESCC(C)N1C(=O)CC1(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(10)5-8(9,3)4/h6H,5H2,1-4H3
InChIKeyDKFGHYPHPOVQQC-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3,4,4-Pentamethylazetidin-2-one
CID 13120090
1-Tert-butyl-2-azetidinone
CID 12307762
3-Ethyl-1,4-dimethylazetidin-2-one
CID 20715930
1-Butan-2-ylazetidin-2-one
CID 59510799
4-Methyl-1-propan-2-ylazetidin-2-one
CID 85616554
1-Tert-butyl-4-propylazetidin-2-one
CID 85681504
3-(2,2-Dimethyl-4-oxoazetidin-1-yl)propanenitrile
CID 134957669
(3R,4S)-3-ethyl-1,4-dimethylazetidin-2-one
CID 135038101
(3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one
CID 135038233
1-Cyclohexyl-4,4-dimethylazetidin-2-one
CID 162414462
1-(2,2-Dimethylazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 131207076
1-Tert-butyl-4,4-dimethylazetidin-2-one
CID 10678458

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-ylazetidin-2-one?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylazetidin-2-one (CID 15269781) is 4,4-dimethyl-1-propan-2-ylazetidin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylazetidin-2-one?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylazetidin-2-one is CC(C)N1C(=O)CC1(C)C.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylazetidin-2-one?
The InChIKey is DKFGHYPHPOVQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)9-7(10)5-8(9,3)4/h6H,5H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylazetidin-2-one?
4,4-dimethyl-1-propan-2-ylazetidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-ylazetidin-2-one is sourced from PubChem (CID 15269781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).