4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one

C15H15NO2 — CID 15868953

IUPAC4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one
SMILESCOc1cc2ccccc2c2c1C(C)(C)C(=O)N2
InChIInChI=1S/C15H15NO2/c1-15(2)12-11(18-3)8-9-6-4-5-7-10(9)13(12)16-14(15)17/h4-8H,1-3H3,(H,16,17)
InChIKeyOIFAJRBBLCABTM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.08
Rot. Bonds1

About 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one

4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one (PubChem CID 15868953) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one.

Molecular Properties

Compound Name4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one
PubChem CID15868953
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one
SMILESCOc1cc2ccccc2c2c1C(C)(C)C(=O)N2
InChIInChI=1S/C15H15NO2/c1-15(2)12-11(18-3)8-9-6-4-5-7-10(9)13(12)16-14(15)17/h4-8H,1-3H3,(H,16,17)
InChIKeyOIFAJRBBLCABTM-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one?
The IUPAC name of 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one (CID 15868953) is 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one.
What is the SMILES notation for 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one?
The canonical SMILES for 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one is COc1cc2ccccc2c2c1C(C)(C)C(=O)N2.
What is the InChIKey of 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one?
The InChIKey is OIFAJRBBLCABTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(2)12-11(18-3)8-9-6-4-5-7-10(9)13(12)16-14(15)17/h4-8H,1-3H3,(H,16,17).
What are the key properties of 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one?
4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one has a molecular weight of 241.29 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3-dimethyl-1H-benzo[g]indol-2-one is sourced from PubChem (CID 15868953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).