1,3,4,4-tetramethylazetidin-2-one

C7H13NO — CID 122674816

IUPAC1,3,4,4-tetramethylazetidin-2-one
SMILESCC1C(=O)N(C)C1(C)C
InChIInChI=1S/C7H13NO/c1-5-6(9)8(4)7(5,2)3/h5H,1-4H3
InChIKeyKYGMWNFZMJOBIX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.87
Rot. Bonds

About 1,3,4,4-tetramethylazetidin-2-one

1,3,4,4-tetramethylazetidin-2-one (PubChem CID 122674816) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,3,4,4-tetramethylazetidin-2-one.

Molecular Properties

Compound Name1,3,4,4-tetramethylazetidin-2-one
PubChem CID122674816
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1,3,4,4-tetramethylazetidin-2-one
SMILESCC1C(=O)N(C)C1(C)C
InChIInChI=1S/C7H13NO/c1-5-6(9)8(4)7(5,2)3/h5H,1-4H3
InChIKeyKYGMWNFZMJOBIX-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one
CID 59884029
(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one
CID 59868897
4,4,5-trimethylcyclopentane-1,2,3-trione
CID 140640209
(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride
CID 130681680
4,4,5,10,10,11-hexamethyl-2,8-dioxa-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodecane-6,12-dione
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1,3,4-trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one
CID 23594536
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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4-tetramethylazetidin-2-one?
The IUPAC name of 1,3,4,4-tetramethylazetidin-2-one (CID 122674816) is 1,3,4,4-tetramethylazetidin-2-one.
What is the SMILES notation for 1,3,4,4-tetramethylazetidin-2-one?
The canonical SMILES for 1,3,4,4-tetramethylazetidin-2-one is CC1C(=O)N(C)C1(C)C.
What is the InChIKey of 1,3,4,4-tetramethylazetidin-2-one?
The InChIKey is KYGMWNFZMJOBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(9)8(4)7(5,2)3/h5H,1-4H3.
What are the key properties of 1,3,4,4-tetramethylazetidin-2-one?
1,3,4,4-tetramethylazetidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4-tetramethylazetidin-2-one is sourced from PubChem (CID 122674816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).