1-(4-aminophenyl)-3,3-dimethylazetidin-2-one

C11H14N2O — CID 58154388

IUPAC1-(4-aminophenyl)-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(c2ccc(N)cc2)C1=O
InChIInChI=1S/C11H14N2O/c1-11(2)7-13(10(11)14)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3
InChIKeyJAVORSDDGKMCPH-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.64
Rot. Bonds1

About 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one

1-(4-aminophenyl)-3,3-dimethylazetidin-2-one (PubChem CID 58154388) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3,3-dimethylazetidin-2-one
PubChem CID58154388
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(4-aminophenyl)-3,3-dimethylazetidin-2-one
SMILESCC1(C)CN(c2ccc(N)cc2)C1=O
InChIInChI=1S/C11H14N2O/c1-11(2)7-13(10(11)14)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3
InChIKeyJAVORSDDGKMCPH-UHFFFAOYSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Aminoacetanilide
CID 31230
Butylacetanilide
CID 7051
N-Ethyl-N-phenylacetamide
CID 10727
N-Methylacetanilide
CID 11364
Isobutyranilide
CID 20436
N,N'-diacetyl-p-phenylenediamine
CID 67324
N-(4-(3,3-Dimethyl-1-triazen-1-yl)phenyl)acetamide
CID 16010
N-Propylacetanilide
CID 17098
N-(4-(Diethylamino)phenyl)acetamide
CID 21400
1-Phenylazetidin-2-one
CID 570854
1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
CID 736269
2,2-Dimethyl-N-phenylpropanamide
CID 81103

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one?
The IUPAC name of 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one (CID 58154388) is 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one?
The canonical SMILES for 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one is CC1(C)CN(c2ccc(N)cc2)C1=O.
What is the InChIKey of 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one?
The InChIKey is JAVORSDDGKMCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2)7-13(10(11)14)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one?
1-(4-aminophenyl)-3,3-dimethylazetidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 58154388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).