methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate

C20H19NO2 — CID 14958492

IUPACmethyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(N=C(c2ccccc2)c2ccccc2)C(C)C1
InChIInChI=1S/C20H19NO2/c1-14-13-17(20(22)23-2)18(14)21-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyPGWZDPWYFGACQB-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.99
Rot. Bonds4

About methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate

methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate (PubChem CID 14958492) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate
PubChem CID14958492
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(N=C(c2ccccc2)c2ccccc2)C(C)C1
InChIInChI=1S/C20H19NO2/c1-14-13-17(20(22)23-2)18(14)21-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyPGWZDPWYFGACQB-UHFFFAOYSA-N
XLogP3.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.99
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)-3-methylcyclobutene-1-carboxylate?
The IUPAC name of methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate (CID 14958492) is methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate.
What is the SMILES notation for methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate?
The canonical SMILES for methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate is COC(=O)C1=C(N=C(c2ccccc2)c2ccccc2)C(C)C1.
What is the InChIKey of methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate?
The InChIKey is PGWZDPWYFGACQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-13-17(20(22)23-2)18(14)21-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate?
methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate is sourced from PubChem (CID 14958492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).