propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate

C11H14N2O3 — CID 4661286

IUPACpropan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate
SMILESCC(C)OC(=O)C(=O)NNc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(2)16-11(15)10(14)13-12-9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,13,14)
InChIKeyKGHPYESRXGRSND-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.08
Rot. Bonds3

About propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate

propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate (PubChem CID 4661286) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate
PubChem CID4661286
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namepropan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate
SMILESCC(C)OC(=O)C(=O)NNc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(2)16-11(15)10(14)13-12-9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,13,14)
InChIKeyKGHPYESRXGRSND-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

anilino propan-2-yl carbonate
CID 167181374
1-anilino-3-hydroxyurea
CID 2763972
1-[2-[2-oxo-2-(2-phenylhydrazinyl)acetyl]hydrazinyl]ethane-1,1-diolate
CID 59286376
N-anilinocarbamoyl chloride
CID 57449233
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
1-anilino-3-methylurea;ethane
CID 143768639
2-(2-phenylhydrazinyl)propanoic acid
CID 77247806
2-[(2R)-2-hydroxypropyl]-1-N',3-N'-diphenylpropanedihydrazide
CID 1239861
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-N'-phenylhexanehydrazide
CID 131873051
1-O-methyl 5-O-propan-2-yl 2-anilino-4-oxopent-2-enedioate
CID 23278565
dipropan-2-yl 2-(2-phenylpropylidene)propanedioate
CID 141417794
ethane;propan-2-yl 2-oxo-2-(4-phenylbutylamino)acetate
CID 145065927

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate?
The IUPAC name of propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate (CID 4661286) is propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate.
What is the SMILES notation for propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate?
The canonical SMILES for propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate is CC(C)OC(=O)C(=O)NNc1ccccc1.
What is the InChIKey of propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate?
The InChIKey is KGHPYESRXGRSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(2)16-11(15)10(14)13-12-9-6-4-3-5-7-9/h3-8,12H,1-2H3,(H,13,14).
What are the key properties of propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate?
propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate has a molecular weight of 222.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-oxo-2-(2-phenylhydrazinyl)acetate is sourced from PubChem (CID 4661286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).