tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate

C15H16INO3 — CID 176913514

IUPACtert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(I)c2cc3c(cc21)COC3
InChIInChI=1S/C15H16INO3/c1-15(2,3)20-14(18)17-6-12(16)11-4-9-7-19-8-10(9)5-13(11)17/h4-6H,7-8H2,1-3H3
InChIKeyAZZIINSCMKVOPF-UHFFFAOYSA-N
MW385.20 g/mol
LogP4.06
Rot. Bonds

About tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate

tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate (PubChem CID 176913514) has the molecular formula C15H16INO3 and a molecular weight of 385.20 g/mol. Its IUPAC name is tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate
PubChem CID176913514
Molecular FormulaC15H16INO3
Molecular Weight385.20 g/mol
Exact Mass385.02
IUPAC Nametert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(I)c2cc3c(cc21)COC3
InChIInChI=1S/C15H16INO3/c1-15(2,3)20-14(18)17-6-12(16)11-4-9-7-19-8-10(9)5-13(11)17/h4-6H,7-8H2,1-3H3
InChIKeyAZZIINSCMKVOPF-UHFFFAOYSA-N
XLogP4.06
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 6-O-methyl 3-iodoindole-1,6-dicarboxylate
CID 7127827
tert-butyl 5-carbamoyl-3-iodoindole-1-carboxylate
CID 67960127
tert-butyl 2-(3-iodo-5,7-dihydrofuro[3,4-f]indazol-1-yl)acetate
CID 178100346
tert-butyl 3-iodo-6-[(4-methoxyphenyl)methoxy]indole-1-carboxylate
CID 177277556
tert-butyl 3-iodopyrrolo[3,2-b]pyridine-1-carboxylate
CID 101043352
tert-butyl 6-fluoro-3-methylindole-1-carboxylate
CID 45103063
tert-butyl 4-iodo-2-methylimidazole-1-carboxylate
CID 178024038
tert-butyl 3-iodo-7-pyrimidin-2-ylindole-1-carboxylate
CID 177277647
tert-butyl 5-chloro-6-fluoro-3-(hydroxymethyl)indole-1-carboxylate
CID 118084237
tert-butyl 3-(hydroxymethyl)-4-iodoindole-1-carboxylate
CID 23651361
tert-butyl 2-amino-3-[(Z)-2-amino-2-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]ethenyl]-4-iodopyrrole-1-carboxylate
CID 167220649
tert-butyl 2,4-dihydroxypyrrole-1-carboxylate
CID 91283692

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate (CID 176913514) is tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate is CC(C)(C)OC(=O)n1cc(I)c2cc3c(cc21)COC3.
What is the InChIKey of tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate?
The InChIKey is AZZIINSCMKVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO3/c1-15(2,3)20-14(18)17-6-12(16)11-4-9-7-19-8-10(9)5-13(11)17/h4-6H,7-8H2,1-3H3.
What are the key properties of tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate?
tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate has a molecular weight of 385.20 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-iodo-5,7-dihydrofuro[3,4-f]indole-1-carboxylate is sourced from PubChem (CID 176913514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).