3-amino-3-phenylpentane-2,4-dione

C11H13NO2 — CID 70119036

IUPAC3-amino-3-phenylpentane-2,4-dione
SMILESCC(=O)C(N)(C(C)=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-8(13)11(12,9(2)14)10-6-4-3-5-7-10/h3-7H,12H2,1-2H3
InChIKeyNGPNQGIWWSQPBT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.02
Rot. Bonds3

About 3-amino-3-phenylpentane-2,4-dione

3-amino-3-phenylpentane-2,4-dione (PubChem CID 70119036) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-amino-3-phenylpentane-2,4-dione.

Molecular Properties

Compound Name3-amino-3-phenylpentane-2,4-dione
PubChem CID70119036
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-amino-3-phenylpentane-2,4-dione
SMILESCC(=O)C(N)(C(C)=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-8(13)11(12,9(2)14)10-6-4-3-5-7-10/h3-7H,12H2,1-2H3
InChIKeyNGPNQGIWWSQPBT-UHFFFAOYSA-N
XLogP1.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

amino 2-amino-3-oxo-2-phenylbutanoate
CID 175404789
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
4-amino-3-bromo-3-phenylpentan-2-one
CID 174845533
4,4-diphenylhexane-2,3,5-trione
CID 140640307
2-amino-3-oxo-2-phenylheptanoic acid
CID 18980748
(2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate
CID 141429287
3-oxo-1,1-diphenylbutan-1-olate
CID 101443170
2-amino-2-hydroxy-2-phenylacetamide
CID 149436781
ethyl 2-acetyl-4-oxo-2-phenylpentanoate
CID 68562528
3-hydroxy-2,2-dimethyl-4-oxo-3-phenylpentanoic acid
CID 57038280
(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
CID 86338935

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenylpentane-2,4-dione?
The IUPAC name of 3-amino-3-phenylpentane-2,4-dione (CID 70119036) is 3-amino-3-phenylpentane-2,4-dione.
What is the SMILES notation for 3-amino-3-phenylpentane-2,4-dione?
The canonical SMILES for 3-amino-3-phenylpentane-2,4-dione is CC(=O)C(N)(C(C)=O)c1ccccc1.
What is the InChIKey of 3-amino-3-phenylpentane-2,4-dione?
The InChIKey is NGPNQGIWWSQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(13)11(12,9(2)14)10-6-4-3-5-7-10/h3-7H,12H2,1-2H3.
What are the key properties of 3-amino-3-phenylpentane-2,4-dione?
3-amino-3-phenylpentane-2,4-dione has a molecular weight of 191.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenylpentane-2,4-dione is sourced from PubChem (CID 70119036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).