3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole

C14H17NO — CID 176741906

IUPAC3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole
SMILESCC(C)(C)c1coc2cc3c(cc12)CCN3
InChIInChI=1S/C14H17NO/c1-14(2,3)11-8-16-13-7-12-9(4-5-15-12)6-10(11)13/h6-8,15H,4-5H2,1-3H3
InChIKeyXIRKSXUSZKVIBN-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.70
Rot. Bonds

About 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole

3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole (PubChem CID 176741906) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole.

Molecular Properties

Compound Name3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole
PubChem CID176741906
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole
SMILESCC(C)(C)c1coc2cc3c(cc12)CCN3
InChIInChI=1S/C14H17NO/c1-14(2,3)11-8-16-13-7-12-9(4-5-15-12)6-10(11)13/h6-8,15H,4-5H2,1-3H3
InChIKeyXIRKSXUSZKVIBN-UHFFFAOYSA-N
XLogP3.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 51526205
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole?
The IUPAC name of 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole (CID 176741906) is 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole.
What is the SMILES notation for 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole?
The canonical SMILES for 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole is CC(C)(C)c1coc2cc3c(cc12)CCN3.
What is the InChIKey of 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole?
The InChIKey is XIRKSXUSZKVIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(2,3)11-8-16-13-7-12-9(4-5-15-12)6-10(11)13/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole?
3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole has a molecular weight of 215.30 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,7-dihydro-5H-furo[3,2-f]indole is sourced from PubChem (CID 176741906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).