ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate

C21H24N2O3 — CID 58883230

IUPACethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1/C(=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-2-25-21(24)23-15-9-14-19(23)20(18-12-7-4-8-13-18)22-26-16-17-10-5-3-6-11-17/h3-8,10-13,19H,2,9,14-16H2,1H3/b22-20-
InChIKeyAYMKNXILBVDFGQ-XDOYNYLZSA-N
MW352.43 g/mol
LogP4.23
Rot. Bonds6

About ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate

ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate (PubChem CID 58883230) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate
PubChem CID58883230
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nameethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1/C(=N\OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-2-25-21(24)23-15-9-14-19(23)20(18-12-7-4-8-13-18)22-26-16-17-10-5-3-6-11-17/h3-8,10-13,19H,2,9,14-16H2,1H3/b22-20-
InChIKeyAYMKNXILBVDFGQ-XDOYNYLZSA-N
XLogP4.23
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate (CID 58883230) is ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1/C(=N\OCc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate?
The InChIKey is AYMKNXILBVDFGQ-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-25-21(24)23-15-9-14-19(23)20(18-12-7-4-8-13-18)22-26-16-17-10-5-3-6-11-17/h3-8,10-13,19H,2,9,14-16H2,1H3/b22-20-.
What are the key properties of ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate?
ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(Z)-C-phenyl-N-phenylmethoxycarbonimidoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58883230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).