(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one

C13H19N3O2 — CID 126609472

IUPAC(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one
SMILESC[C@@](NN)(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-13(15-14,11-5-3-2-4-6-11)12(17)16-7-9-18-10-8-16/h2-6,15H,7-10,14H2,1H3/t13-/m0/s1
InChIKeyABWCMAUMVOKALH-ZDUSSCGKSA-N
MW249.31 g/mol
LogP0.22
Rot. Bonds3

About (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one

(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one (PubChem CID 126609472) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one
PubChem CID126609472
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one
SMILESC[C@@](NN)(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-13(15-14,11-5-3-2-4-6-11)12(17)16-7-9-18-10-8-16/h2-6,15H,7-10,14H2,1H3/t13-/m0/s1
InChIKeyABWCMAUMVOKALH-ZDUSSCGKSA-N
XLogP0.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile
CID 14076583
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666
3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid
CID 14213088
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
methyl (2S)-2-(benzhydrylideneamino)-3,3-dimethyl-4-morpholin-4-yl-4-oxo-2-phenylbutanoate
CID 177471493
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
CID 110306164
2-amino-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpropanamide
CID 120588933
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105058043
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959834

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one?
The IUPAC name of (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one (CID 126609472) is (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one?
The canonical SMILES for (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one is C[C@@](NN)(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one?
The InChIKey is ABWCMAUMVOKALH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(15-14,11-5-3-2-4-6-11)12(17)16-7-9-18-10-8-16/h2-6,15H,7-10,14H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one?
(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one is sourced from PubChem (CID 126609472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).