(4S)-4-(4-aminophenyl)azetidin-2-one

C9H10N2O — CID 142449189

IUPAC(4S)-4-(4-aminophenyl)azetidin-2-one
SMILESNc1ccc([C@@H]2CC(=O)N2)cc1
InChIInChI=1S/C9H10N2O/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCMWMFHLWMYCMKR-QMMMGPOBSA-N
MW162.19 g/mol
LogP0.83
Rot. Bonds1

About (4S)-4-(4-aminophenyl)azetidin-2-one

(4S)-4-(4-aminophenyl)azetidin-2-one (PubChem CID 142449189) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (4S)-4-(4-aminophenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-aminophenyl)azetidin-2-one
PubChem CID142449189
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(4S)-4-(4-aminophenyl)azetidin-2-one
SMILESNc1ccc([C@@H]2CC(=O)N2)cc1
InChIInChI=1S/C9H10N2O/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCMWMFHLWMYCMKR-QMMMGPOBSA-N
XLogP0.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione
CID 730381
4-(4-nitrophenyl)azetidin-2-one
CID 55255418
4-(aziridin-2-yl)aniline
CID 87528388
4-(4-propylphenyl)azetidin-2-one
CID 66350088
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
4-(3,4-difluorophenyl)azetidin-2-one
CID 64665569
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374
6-(4-hydroxyphenyl)piperidine-2,4-dione
CID 83819813
4,6-bis(4-bromophenyl)piperidin-2-one
CID 71303235
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline
CID 141058768

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-aminophenyl)azetidin-2-one?
The IUPAC name of (4S)-4-(4-aminophenyl)azetidin-2-one (CID 142449189) is (4S)-4-(4-aminophenyl)azetidin-2-one.
What is the SMILES notation for (4S)-4-(4-aminophenyl)azetidin-2-one?
The canonical SMILES for (4S)-4-(4-aminophenyl)azetidin-2-one is Nc1ccc([C@@H]2CC(=O)N2)cc1.
What is the InChIKey of (4S)-4-(4-aminophenyl)azetidin-2-one?
The InChIKey is CMWMFHLWMYCMKR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10N2O/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5,10H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (4S)-4-(4-aminophenyl)azetidin-2-one?
(4S)-4-(4-aminophenyl)azetidin-2-one has a molecular weight of 162.19 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-aminophenyl)azetidin-2-one is sourced from PubChem (CID 142449189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).