3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one

C13H15NO2 — CID 5173188

IUPAC3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one
SMILESCN1c2ccccc2C2(C)CC(=O)OC12C
InChIInChI=1S/C13H15NO2/c1-12-8-11(15)16-13(12,2)14(3)10-7-5-4-6-9(10)12/h4-7H,8H2,1-3H3
InChIKeyRPVZXOABUDPAMG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.06
Rot. Bonds

About 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one

3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one (PubChem CID 5173188) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one.

Molecular Properties

Compound Name3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one
PubChem CID5173188
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one
SMILESCN1c2ccccc2C2(C)CC(=O)OC12C
InChIInChI=1S/C13H15NO2/c1-12-8-11(15)16-13(12,2)14(3)10-7-5-4-6-9(10)12/h4-7H,8H2,1-3H3
InChIKeyRPVZXOABUDPAMG-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one?
The IUPAC name of 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one (CID 5173188) is 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one.
What is the SMILES notation for 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one?
The canonical SMILES for 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one is CN1c2ccccc2C2(C)CC(=O)OC12C.
What is the InChIKey of 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one?
The InChIKey is RPVZXOABUDPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-12-8-11(15)16-13(12,2)14(3)10-7-5-4-6-9(10)12/h4-7H,8H2,1-3H3.
What are the key properties of 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one?
3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,8b-trimethyl-1H-furo[2,3-b]indol-2-one is sourced from PubChem (CID 5173188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).