tert-butyl 2-(furan-2-yl)indole-1-carboxylate

C17H17NO3 — CID 71078189

IUPACtert-butyl 2-(furan-2-yl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccco2)cc2ccccc21
InChIInChI=1S/C17H17NO3/c1-17(2,3)21-16(19)18-13-8-5-4-7-12(13)11-14(18)15-9-6-10-20-15/h4-11H,1-3H3
InChIKeyCWXXMYLQSSKQII-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.68
Rot. Bonds1

About tert-butyl 2-(furan-2-yl)indole-1-carboxylate

tert-butyl 2-(furan-2-yl)indole-1-carboxylate (PubChem CID 71078189) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is tert-butyl 2-(furan-2-yl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(furan-2-yl)indole-1-carboxylate
PubChem CID71078189
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nametert-butyl 2-(furan-2-yl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccco2)cc2ccccc21
InChIInChI=1S/C17H17NO3/c1-17(2,3)21-16(19)18-13-8-5-4-7-12(13)11-14(18)15-9-6-10-20-15/h4-11H,1-3H3
InChIKeyCWXXMYLQSSKQII-UHFFFAOYSA-N
XLogP4.68
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-hydroxyindole-1-carboxylate
CID 59887114
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702
tert-butyl 2-propan-2-ylindole-1-carboxylate
CID 71120624
tert-butyl 2-carbamoylindole-1-carboxylate
CID 133057328
tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate
CID 177047458
tert-butyl 2-[4-(cyanomethyl)phenyl]indole-1-carboxylate
CID 25190804
tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
CID 24807321
tert-butyl 5-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indazole-1-carboxylate
CID 131846569
tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)indole-1-carboxylate
CID 122200469
tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate
CID 141211122
chlorooxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]borinic acid
CID 174717062
tert-butyl 2-prop-2-enylindole-1-carboxylate
CID 71425523

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(furan-2-yl)indole-1-carboxylate?
The IUPAC name of tert-butyl 2-(furan-2-yl)indole-1-carboxylate (CID 71078189) is tert-butyl 2-(furan-2-yl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(furan-2-yl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(furan-2-yl)indole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2ccco2)cc2ccccc21.
What is the InChIKey of tert-butyl 2-(furan-2-yl)indole-1-carboxylate?
The InChIKey is CWXXMYLQSSKQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(2,3)21-16(19)18-13-8-5-4-7-12(13)11-14(18)15-9-6-10-20-15/h4-11H,1-3H3.
What are the key properties of tert-butyl 2-(furan-2-yl)indole-1-carboxylate?
tert-butyl 2-(furan-2-yl)indole-1-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(furan-2-yl)indole-1-carboxylate is sourced from PubChem (CID 71078189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).