3,3,4,4-tetramethyl-1-propanoylazetidin-2-one

C10H17NO2 — CID 18325692

IUPAC3,3,4,4-tetramethyl-1-propanoylazetidin-2-one
SMILESCCC(=O)N1C(=O)C(C)(C)C1(C)C
InChIInChI=1S/C10H17NO2/c1-6-7(12)11-8(13)9(2,3)10(11,4)5/h6H2,1-5H3
InChIKeyFFDZNUJWCDQSNU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds1

About 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one

3,3,4,4-tetramethyl-1-propanoylazetidin-2-one (PubChem CID 18325692) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1-propanoylazetidin-2-one
PubChem CID18325692
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3,3,4,4-tetramethyl-1-propanoylazetidin-2-one
SMILESCCC(=O)N1C(=O)C(C)(C)C1(C)C
InChIInChI=1S/C10H17NO2/c1-6-7(12)11-8(13)9(2,3)10(11,4)5/h6H2,1-5H3
InChIKeyFFDZNUJWCDQSNU-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one?
The IUPAC name of 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one (CID 18325692) is 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one.
What is the SMILES notation for 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one?
The canonical SMILES for 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one is CCC(=O)N1C(=O)C(C)(C)C1(C)C.
What is the InChIKey of 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one?
The InChIKey is FFDZNUJWCDQSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-7(12)11-8(13)9(2,3)10(11,4)5/h6H2,1-5H3.
What are the key properties of 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one?
3,3,4,4-tetramethyl-1-propanoylazetidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-1-propanoylazetidin-2-one is sourced from PubChem (CID 18325692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).