(3S)-3-hydrazinyl-4-phenylbutan-2-one

C10H14N2O — CID 118951823

IUPAC(3S)-3-hydrazinyl-4-phenylbutan-2-one
SMILESCC(=O)[C@H](Cc1ccccc1)NN
InChIInChI=1S/C10H14N2O/c1-8(13)10(12-11)7-9-5-3-2-4-6-9/h2-6,10,12H,7,11H2,1H3/t10-/m0/s1
InChIKeyAHNVDKSYNINPGY-JTQLQIEISA-N
MW178.24 g/mol
LogP0.65
Rot. Bonds4

About (3S)-3-hydrazinyl-4-phenylbutan-2-one

(3S)-3-hydrazinyl-4-phenylbutan-2-one (PubChem CID 118951823) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (3S)-3-hydrazinyl-4-phenylbutan-2-one.

Molecular Properties

Compound Name(3S)-3-hydrazinyl-4-phenylbutan-2-one
PubChem CID118951823
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(3S)-3-hydrazinyl-4-phenylbutan-2-one
SMILESCC(=O)[C@H](Cc1ccccc1)NN
InChIInChI=1S/C10H14N2O/c1-8(13)10(12-11)7-9-5-3-2-4-6-9/h2-6,10,12H,7,11H2,1H3/t10-/m0/s1
InChIKeyAHNVDKSYNINPGY-JTQLQIEISA-N
XLogP0.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one
CID 139542071
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
amino 2-hydrazinyl-3-phenylpropanoate
CID 163606408
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
(3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one
CID 71196039
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydrazinyl-4-phenylbutan-2-one?
The IUPAC name of (3S)-3-hydrazinyl-4-phenylbutan-2-one (CID 118951823) is (3S)-3-hydrazinyl-4-phenylbutan-2-one.
What is the SMILES notation for (3S)-3-hydrazinyl-4-phenylbutan-2-one?
The canonical SMILES for (3S)-3-hydrazinyl-4-phenylbutan-2-one is CC(=O)[C@H](Cc1ccccc1)NN.
What is the InChIKey of (3S)-3-hydrazinyl-4-phenylbutan-2-one?
The InChIKey is AHNVDKSYNINPGY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(13)10(12-11)7-9-5-3-2-4-6-9/h2-6,10,12H,7,11H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-hydrazinyl-4-phenylbutan-2-one?
(3S)-3-hydrazinyl-4-phenylbutan-2-one has a molecular weight of 178.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydrazinyl-4-phenylbutan-2-one is sourced from PubChem (CID 118951823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).