[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride

C15H20ClN3O2 — CID 44662181

IUPAC[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride
SMILESCC(C)[C@@H]([NH3+])C(=O)N/N=C/C1=Cc2ccccc2OC1.[Cl-]
InChIInChI=1S/C15H19N3O2.ClH/c1-10(2)14(16)15(19)18-17-8-11-7-12-5-3-4-6-13(12)20-9-11;/h3-8,10,14H,9,16H2,1-2H3,(H,18,19);1H/b17-8+;/t14-;/m1./s1
InChIKeyGIMAZPYPUQLTJQ-NULWPXEDSA-N
MW309.80 g/mol
LogP-2.17
Rot. Bonds4

About [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride

[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride (PubChem CID 44662181) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride
PubChem CID44662181
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride
SMILESCC(C)[C@@H]([NH3+])C(=O)N/N=C/C1=Cc2ccccc2OC1.[Cl-]
InChIInChI=1S/C15H19N3O2.ClH/c1-10(2)14(16)15(19)18-17-8-11-7-12-5-3-4-6-13(12)20-9-11;/h3-8,10,14H,9,16H2,1-2H3,(H,18,19);1H/b17-8+;/t14-;/m1./s1
InChIKeyGIMAZPYPUQLTJQ-NULWPXEDSA-N
XLogP-2.17
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 5-2.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride?
The IUPAC name of [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride (CID 44662181) is [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride.
What is the SMILES notation for [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride?
The canonical SMILES for [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride is CC(C)[C@@H]([NH3+])C(=O)N/N=C/C1=Cc2ccccc2OC1.[Cl-].
What is the InChIKey of [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride?
The InChIKey is GIMAZPYPUQLTJQ-NULWPXEDSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c1-10(2)14(16)15(19)18-17-8-11-7-12-5-3-4-6-13(12)20-9-11;/h3-8,10,14H,9,16H2,1-2H3,(H,18,19);1H/b17-8+;/t14-;/m1./s1.
What are the key properties of [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride?
[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride has a molecular weight of 309.80 g/mol, XLogP of -2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride is sourced from PubChem (CID 44662181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).