5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole

C11H15NO — CID 22506880

IUPAC5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole
SMILESCOc1cc(C)c2c(c1C)CCN2
InChIInChI=1S/C11H15NO/c1-7-6-10(13-3)8(2)9-4-5-12-11(7)9/h6,12H,4-5H2,1-3H3
InChIKeySXTVXTGVVXTIIN-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.28
Rot. Bonds1

About 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole

5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole (PubChem CID 22506880) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole
PubChem CID22506880
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole
SMILESCOc1cc(C)c2c(c1C)CCN2
InChIInChI=1S/C11H15NO/c1-7-6-10(13-3)8(2)9-4-5-12-11(7)9/h6,12H,4-5H2,1-3H3
InChIKeySXTVXTGVVXTIIN-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole (CID 22506880) is 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole is COc1cc(C)c2c(c1C)CCN2.
What is the InChIKey of 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is SXTVXTGVVXTIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-6-10(13-3)8(2)9-4-5-12-11(7)9/h6,12H,4-5H2,1-3H3.
What are the key properties of 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole?
5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 177.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 22506880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).