(4-aminophenyl)-(azetidin-2-yl)methanone

C10H12N2O — CID 84655583

IUPAC(4-aminophenyl)-(azetidin-2-yl)methanone
SMILESNc1ccc(C(=O)C2CCN2)cc1
InChIInChI=1S/C10H12N2O/c11-8-3-1-7(2-4-8)10(13)9-5-6-12-9/h1-4,9,12H,5-6,11H2
InChIKeyMUGUDOPICQZBIG-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.81
Rot. Bonds2

About (4-aminophenyl)-(azetidin-2-yl)methanone

(4-aminophenyl)-(azetidin-2-yl)methanone (PubChem CID 84655583) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (4-aminophenyl)-(azetidin-2-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(azetidin-2-yl)methanone
PubChem CID84655583
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(4-aminophenyl)-(azetidin-2-yl)methanone
SMILESNc1ccc(C(=O)C2CCN2)cc1
InChIInChI=1S/C10H12N2O/c11-8-3-1-7(2-4-8)10(13)9-5-6-12-9/h1-4,9,12H,5-6,11H2
InChIKeyMUGUDOPICQZBIG-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-aminophenyl)-(azetidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-2-yl(phenyl)methanone
CID 84651225
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
phenyl(piperidin-2-yl)methanone
CID 19772085
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
2,6-bis(4-aminobenzoyl)cyclohexan-1-one
CID 67815531
N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide
CID 64867866
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202
azetidin-2-yl-(3-bromophenyl)methanone
CID 84701782
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(azetidin-2-yl)methanone?
The IUPAC name of (4-aminophenyl)-(azetidin-2-yl)methanone (CID 84655583) is (4-aminophenyl)-(azetidin-2-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(azetidin-2-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(azetidin-2-yl)methanone is Nc1ccc(C(=O)C2CCN2)cc1.
What is the InChIKey of (4-aminophenyl)-(azetidin-2-yl)methanone?
The InChIKey is MUGUDOPICQZBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-3-1-7(2-4-8)10(13)9-5-6-12-9/h1-4,9,12H,5-6,11H2.
What are the key properties of (4-aminophenyl)-(azetidin-2-yl)methanone?
(4-aminophenyl)-(azetidin-2-yl)methanone has a molecular weight of 176.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(azetidin-2-yl)methanone is sourced from PubChem (CID 84655583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).