sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride

C15H14NNaO — CID 173426238

IUPACsodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
SMILESNC(=CC(=O)c1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C15H13NO.Na.H/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h1-11H,16H2;;/q;+1;-1
InChIKeyDDIZBVGHIUKYSJ-UHFFFAOYSA-N
MW247.27 g/mol
LogP-0.01
Rot. Bonds3

About sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride

sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride (PubChem CID 173426238) has the molecular formula C15H14NNaO and a molecular weight of 247.27 g/mol. Its IUPAC name is sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride.

Molecular Properties

Compound Namesodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
PubChem CID173426238
Molecular FormulaC15H14NNaO
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Namesodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
SMILESNC(=CC(=O)c1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C15H13NO.Na.H/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h1-11H,16H2;;/q;+1;-1
InChIKeyDDIZBVGHIUKYSJ-UHFFFAOYSA-N
XLogP-0.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
CID 102206205
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
sodium;3-amino-1-phenylbut-2-en-1-one;hydride
CID 173426072
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
(Z)-4-amino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 5372882
3-amino-4,4,4-trichloro-1-phenylbut-2-en-1-one
CID 67682583
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
3-amino-3-phenylprop-2-enethioamide
CID 71410978

Frequently Asked Questions

What is the IUPAC name of sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride?
The IUPAC name of sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride (CID 173426238) is sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride.
What is the SMILES notation for sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride?
The canonical SMILES for sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride is NC(=CC(=O)c1ccccc1)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride?
The InChIKey is DDIZBVGHIUKYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO.Na.H/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h1-11H,16H2;;/q;+1;-1.
What are the key properties of sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride?
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride has a molecular weight of 247.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride is sourced from PubChem (CID 173426238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).