methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate

C19H19NO2 — CID 162639866

IUPACmethyl 2-(benzhydrylideneamino)-2-cyclopropylacetate
SMILESCOC(=O)C(N=C(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C19H19NO2/c1-22-19(21)18(16-12-13-16)20-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3
InChIKeyVXJMAWLUCWAZTJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.48
Rot. Bonds5

About methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate

methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate (PubChem CID 162639866) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylideneamino)-2-cyclopropylacetate
PubChem CID162639866
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-(benzhydrylideneamino)-2-cyclopropylacetate
SMILESCOC(=O)C(N=C(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C19H19NO2/c1-22-19(21)18(16-12-13-16)20-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3
InChIKeyVXJMAWLUCWAZTJ-UHFFFAOYSA-N
XLogP3.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate?
The IUPAC name of methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate (CID 162639866) is methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate?
The canonical SMILES for methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate is COC(=O)C(N=C(c1ccccc1)c1ccccc1)C1CC1.
What is the InChIKey of methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate?
The InChIKey is VXJMAWLUCWAZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-19(21)18(16-12-13-16)20-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18H,12-13H2,1H3.
What are the key properties of methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate?
methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate has a molecular weight of 293.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylideneamino)-2-cyclopropylacetate is sourced from PubChem (CID 162639866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).