tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate

C16H17NO4 — CID 102142991

IUPACtert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate
SMILESCC1OC(=O)c2c1c1ccccc1n2C(=O)OC(C)(C)C
InChIInChI=1S/C16H17NO4/c1-9-12-10-7-5-6-8-11(10)17(13(12)14(18)20-9)15(19)21-16(2,3)4/h5-9H,1-4H3
InChIKeyWBNAKABQSGJVNO-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.66
Rot. Bonds

About tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate

tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate (PubChem CID 102142991) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate
PubChem CID102142991
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Nametert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate
SMILESCC1OC(=O)c2c1c1ccccc1n2C(=O)OC(C)(C)C
InChIInChI=1S/C16H17NO4/c1-9-12-10-7-5-6-8-11(10)17(13(12)14(18)20-9)15(19)21-16(2,3)4/h5-9H,1-4H3
InChIKeyWBNAKABQSGJVNO-UHFFFAOYSA-N
XLogP3.66
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate?
The IUPAC name of tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate (CID 102142991) is tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate is CC1OC(=O)c2c1c1ccccc1n2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate?
The InChIKey is WBNAKABQSGJVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9-12-10-7-5-6-8-11(10)17(13(12)14(18)20-9)15(19)21-16(2,3)4/h5-9H,1-4H3.
What are the key properties of tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate?
tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate is sourced from PubChem (CID 102142991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).