tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

C20H32N2O3 — CID 58134992

IUPACtert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESC=CC1CC[C@@H](CC)N1C(=O)C1[C@@H](C=C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O3/c1-7-14-12-13-21(19(24)25-20(4,5)6)17(14)18(23)22-15(8-2)10-11-16(22)9-3/h7-8,14-17H,1-2,9-13H2,3-6H3/t14-,15?,16+,17?/m0/s1
InChIKeyHXIOLZUWJDTXTG-ORBLRFAASA-N
MW348.49 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 58134992) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID58134992
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESC=CC1CC[C@@H](CC)N1C(=O)C1[C@@H](C=C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O3/c1-7-14-12-13-21(19(24)25-20(4,5)6)17(14)18(23)22-15(8-2)10-11-16(22)9-3/h7-8,14-17H,1-2,9-13H2,3-6H3/t14-,15?,16+,17?/m0/s1
InChIKeyHXIOLZUWJDTXTG-ORBLRFAASA-N
XLogP3.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate (CID 58134992) is tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate is C=CC1CC[C@@H](CC)N1C(=O)C1[C@@H](C=C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is HXIOLZUWJDTXTG-ORBLRFAASA-N. The full InChI is InChI=1S/C20H32N2O3/c1-7-14-12-13-21(19(24)25-20(4,5)6)17(14)18(23)22-15(8-2)10-11-16(22)9-3/h7-8,14-17H,1-2,9-13H2,3-6H3/t14-,15?,16+,17?/m0/s1.
What are the key properties of tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58134992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).