prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate

C21H22N2O2 — CID 20800570

IUPACprop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(N=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H22N2O2/c1-2-15-25-21(24)23-14-13-19(16-23)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-12,19H,1,13-16H2
InChIKeyXZSFNIBBNLPYJT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.92
Rot. Bonds5

About prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate

prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate (PubChem CID 20800570) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate
PubChem CID20800570
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Nameprop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(N=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H22N2O2/c1-2-15-25-21(24)23-14-13-19(16-23)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-12,19H,1,13-16H2
InChIKeyXZSFNIBBNLPYJT-UHFFFAOYSA-N
XLogP3.92
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (3R,4S)-3-(benzoyloxymethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 11729008
3-phenyl-3-(1-prop-2-enoxycarbonylpiperidin-4-yl)propanoic acid
CID 167722036
prop-2-enyl (3R)-3-[(3-chlorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 129047500
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747
3-[(3R,4S)-3-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl]propanoic acid
CID 66870234
prop-2-enyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 165416751
[(3R)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
CID 18739444
[(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
CID 18394663
1-O-tert-butyl 6-O-prop-2-enyl 4-benzoyl-5-oxo-1,4-diazepane-1,6-dicarboxylate
CID 154944611
prop-2-enyl 3-[3-[bromo(triphenyl)-λ5-phosphanyl]-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 140580447
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 112627490

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate (CID 20800570) is prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CCC(N=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate?
The InChIKey is XZSFNIBBNLPYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-15-25-21(24)23-14-13-19(16-23)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-12,19H,1,13-16H2.
What are the key properties of prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate?
prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(benzhydrylideneamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 20800570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).