ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate

C19H19NO2 — CID 11197139

IUPACethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H19NO2/c1-2-22-18(21)19(13-14-19)20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyAWPQNJZDPDRFMX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.62
Rot. Bonds5

About ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate

ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate (PubChem CID 11197139) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate
PubChem CID11197139
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nameethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H19NO2/c1-2-22-18(21)19(13-14-19)20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyAWPQNJZDPDRFMX-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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 ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate (CID 11197139) is ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate is CCOC(=O)C1(N=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate?
The InChIKey is AWPQNJZDPDRFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-22-18(21)19(13-14-19)20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate?
ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 11197139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).