tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate

C23H37NO3 — CID 58134996

IUPACtert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate
SMILESC=C[C@H]1CC[C@@H](C(C)(C)C)C1C(=O)C1[C@@H](C=C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H37NO3/c1-9-15-11-12-17(22(3,4)5)18(15)20(25)19-16(10-2)13-14-24(19)21(26)27-23(6,7)8/h9-10,15-19H,1-2,11-14H2,3-8H3/t15-,16-,17+,18?,19?/m0/s1
InChIKeyWXVNYRHPSXKMSU-UPMGZUDPSA-N
MW375.55 g/mol
LogP5.24
Rot. Bonds4

About tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate

tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate (PubChem CID 58134996) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate
PubChem CID58134996
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Nametert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate
SMILESC=C[C@H]1CC[C@@H](C(C)(C)C)C1C(=O)C1[C@@H](C=C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H37NO3/c1-9-15-11-12-17(22(3,4)5)18(15)20(25)19-16(10-2)13-14-24(19)21(26)27-23(6,7)8/h9-10,15-19H,1-2,11-14H2,3-8H3/t15-,16-,17+,18?,19?/m0/s1
InChIKeyWXVNYRHPSXKMSU-UPMGZUDPSA-N
XLogP5.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 55.24
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)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate (CID 58134996) is tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate is C=C[C@H]1CC[C@@H](C(C)(C)C)C1C(=O)C1[C@@H](C=C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate?
The InChIKey is WXVNYRHPSXKMSU-UPMGZUDPSA-N. The full InChI is InChI=1S/C23H37NO3/c1-9-15-11-12-17(22(3,4)5)18(15)20(25)19-16(10-2)13-14-24(19)21(26)27-23(6,7)8/h9-10,15-19H,1-2,11-14H2,3-8H3/t15-,16-,17+,18?,19?/m0/s1.
What are the key properties of tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate?
tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate has a molecular weight of 375.55 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-2-[(2R,5R)-2-tert-butyl-5-ethenylcyclopentanecarbonyl]-3-ethenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 58134996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).