tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate

C26H33NO2 — CID 15152988

IUPACtert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate
SMILESC=C1CC(C)(C)N(C(=O)OC(C)(C)C)C1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33NO2/c1-19-18-26(5,6)27(24(28)29-25(2,3)4)23(19)17-22(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-23H,1,17-18H2,2-6H3
InChIKeyHLXPXBSBXRVJRP-UHFFFAOYSA-N
MW391.56 g/mol
LogP6.55
Rot. Bonds4

About tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate

tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate (PubChem CID 15152988) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate
PubChem CID15152988
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Nametert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate
SMILESC=C1CC(C)(C)N(C(=O)OC(C)(C)C)C1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33NO2/c1-19-18-26(5,6)27(24(28)29-25(2,3)4)23(19)17-22(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-23H,1,17-18H2,2-6H3
InChIKeyHLXPXBSBXRVJRP-UHFFFAOYSA-N
XLogP6.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
Tert-butyl 3-(4-(trifluoromethyl)benzyl)-2-azaspiro[4.5]decane-2-carboxylate
CID 46210375
Tert-butyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 11312007
tert-butyl (E)-2-(3-(4-fluorophenyl)allyl)pyrrolidine-1-carboxylate
CID 19367165
(3aR, 7R,7aR)-2-t-butoxycarbonyl-4,4-diphenyl-7-fluoroperhydroisoindole
CID 54399787
Tert-butyl (2S)-2-(3-fluoro-4-methylbenzyl)pyrrolidine-1-carboxylate
CID 58581220
tert-butyl 2-[(E)-2-(2-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 138973295
Tert-butyl 2-phenylpyrrolidine-1-carboxylate
CID 3772557
1-Boc-3-Phenyl-pyrrolidine
CID 11230388
tert-butyl (2S)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
CID 11242774
Tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate
CID 11288871

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate (CID 15152988) is tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate is C=C1CC(C)(C)N(C(=O)OC(C)(C)C)C1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate?
The InChIKey is HLXPXBSBXRVJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2/c1-19-18-26(5,6)27(24(28)29-25(2,3)4)23(19)17-22(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-23H,1,17-18H2,2-6H3.
What are the key properties of tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate?
tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate has a molecular weight of 391.56 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2,2-diphenylethyl)-2,2-dimethyl-4-methylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 15152988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).