3-amino-1,4,4-trimethylazetidin-2-one

C6H12N2O — CID 55290595

IUPAC3-amino-1,4,4-trimethylazetidin-2-one
SMILESCN1C(=O)C(N)C1(C)C
InChIInChI=1S/C6H12N2O/c1-6(2)4(7)5(9)8(6)3/h4H,7H2,1-3H3
InChIKeyDJSSYBQRQDNTNW-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.44
Rot. Bonds

About 3-amino-1,4,4-trimethylazetidin-2-one

3-amino-1,4,4-trimethylazetidin-2-one (PubChem CID 55290595) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-amino-1,4,4-trimethylazetidin-2-one.

Molecular Properties

Compound Name3-amino-1,4,4-trimethylazetidin-2-one
PubChem CID55290595
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-amino-1,4,4-trimethylazetidin-2-one
SMILESCN1C(=O)C(N)C1(C)C
InChIInChI=1S/C6H12N2O/c1-6(2)4(7)5(9)8(6)3/h4H,7H2,1-3H3
InChIKeyDJSSYBQRQDNTNW-UHFFFAOYSA-N
XLogP-0.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,4,4-trimethylazetidin-2-one?
The IUPAC name of 3-amino-1,4,4-trimethylazetidin-2-one (CID 55290595) is 3-amino-1,4,4-trimethylazetidin-2-one.
What is the SMILES notation for 3-amino-1,4,4-trimethylazetidin-2-one?
The canonical SMILES for 3-amino-1,4,4-trimethylazetidin-2-one is CN1C(=O)C(N)C1(C)C.
What is the InChIKey of 3-amino-1,4,4-trimethylazetidin-2-one?
The InChIKey is DJSSYBQRQDNTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(2)4(7)5(9)8(6)3/h4H,7H2,1-3H3.
What are the key properties of 3-amino-1,4,4-trimethylazetidin-2-one?
3-amino-1,4,4-trimethylazetidin-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,4,4-trimethylazetidin-2-one is sourced from PubChem (CID 55290595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).