tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate

C22H23NO3 — CID 122361283

IUPACtert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@]2(C=C[C@H](c3ccccc3)O2)c2ccccc21
InChIInChI=1S/C22H23NO3/c1-21(2,3)26-20(24)23-15-22(17-11-7-8-12-18(17)23)14-13-19(25-22)16-9-5-4-6-10-16/h4-14,19H,15H2,1-3H3/t19-,22+/m1/s1
InChIKeyMVDBHOINKVDPBR-KNQAVFIVSA-N
MW349.43 g/mol
LogP4.96
Rot. Bonds1

About tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate

tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate (PubChem CID 122361283) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate
PubChem CID122361283
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Nametert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@]2(C=C[C@H](c3ccccc3)O2)c2ccccc21
InChIInChI=1S/C22H23NO3/c1-21(2,3)26-20(24)23-15-22(17-11-7-8-12-18(17)23)14-13-19(25-22)16-9-5-4-6-10-16/h4-14,19H,15H2,1-3H3/t19-,22+/m1/s1
InChIKeyMVDBHOINKVDPBR-KNQAVFIVSA-N
XLogP4.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.96
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 (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate (CID 122361283) is tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate is CC(C)(C)OC(=O)N1C[C@@]2(C=C[C@H](c3ccccc3)O2)c2ccccc21.
What is the InChIKey of tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate?
The InChIKey is MVDBHOINKVDPBR-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H23NO3/c1-21(2,3)26-20(24)23-15-22(17-11-7-8-12-18(17)23)14-13-19(25-22)16-9-5-4-6-10-16/h4-14,19H,15H2,1-3H3/t19-,22+/m1/s1.
What are the key properties of tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate?
tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-2-phenylspiro[2H-furan-5,3'-2H-indole]-1'-carboxylate is sourced from PubChem (CID 122361283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).