4-anilino-1-methylazetidin-2-one

C10H12N2O — CID 21455880

IUPAC4-anilino-1-methylazetidin-2-one
SMILESCN1C(=O)CC1Nc1ccccc1
InChIInChI=1S/C10H12N2O/c1-12-9(7-10(12)13)11-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKeyLDWLCBWKIVZGOO-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.29
Rot. Bonds2

About 4-anilino-1-methylazetidin-2-one

4-anilino-1-methylazetidin-2-one (PubChem CID 21455880) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-anilino-1-methylazetidin-2-one.

Molecular Properties

Compound Name4-anilino-1-methylazetidin-2-one
PubChem CID21455880
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-anilino-1-methylazetidin-2-one
SMILESCN1C(=O)CC1Nc1ccccc1
InChIInChI=1S/C10H12N2O/c1-12-9(7-10(12)13)11-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKeyLDWLCBWKIVZGOO-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-methylazetidin-2-one?
The IUPAC name of 4-anilino-1-methylazetidin-2-one (CID 21455880) is 4-anilino-1-methylazetidin-2-one.
What is the SMILES notation for 4-anilino-1-methylazetidin-2-one?
The canonical SMILES for 4-anilino-1-methylazetidin-2-one is CN1C(=O)CC1Nc1ccccc1.
What is the InChIKey of 4-anilino-1-methylazetidin-2-one?
The InChIKey is LDWLCBWKIVZGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-9(7-10(12)13)11-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3.
What are the key properties of 4-anilino-1-methylazetidin-2-one?
4-anilino-1-methylazetidin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-methylazetidin-2-one is sourced from PubChem (CID 21455880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).