6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one

C17H23NO2 — CID 54202436

IUPAC6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one
SMILESCOC1CC=C2C=C3C(=C(C)C(=O)N3C)CC2(C)C1C
InChIInChI=1S/C17H23NO2/c1-10-13-9-17(3)11(2)15(20-5)7-6-12(17)8-14(13)18(4)16(10)19/h6,8,11,15H,7,9H2,1-5H3
InChIKeyPQESETQGAFMQPP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.05
Rot. Bonds1

About 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one

6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one (PubChem CID 54202436) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one.

Molecular Properties

Compound Name6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one
PubChem CID54202436
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one
SMILESCOC1CC=C2C=C3C(=C(C)C(=O)N3C)CC2(C)C1C
InChIInChI=1S/C17H23NO2/c1-10-13-9-17(3)11(2)15(20-5)7-6-12(17)8-14(13)18(4)16(10)19/h6,8,11,15H,7,9H2,1-5H3
InChIKeyPQESETQGAFMQPP-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one?
The IUPAC name of 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one (CID 54202436) is 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one.
What is the SMILES notation for 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one?
The canonical SMILES for 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one is COC1CC=C2C=C3C(=C(C)C(=O)N3C)CC2(C)C1C.
What is the InChIKey of 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one?
The InChIKey is PQESETQGAFMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10-13-9-17(3)11(2)15(20-5)7-6-12(17)8-14(13)18(4)16(10)19/h6,8,11,15H,7,9H2,1-5H3.
What are the key properties of 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one?
6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3,4a,5-tetramethyl-4,5,6,7-tetrahydrobenzo[f]indol-2-one is sourced from PubChem (CID 54202436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).