5-methoxy-2,3-dihydro-1H-indole

C9H11NO — CID 10701974

IUPAC5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)CCN2
InChIInChI=1S/C9H11NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKeyYYDYAQAVAHKFJO-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.66
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1H-indole

5-methoxy-2,3-dihydro-1H-indole (PubChem CID 10701974) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-indole
PubChem CID10701974
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)CCN2
InChIInChI=1S/C9H11NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKeyYYDYAQAVAHKFJO-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.66
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-2,3-dihydro-1H-indole?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-indole (CID 10701974) is 5-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-indole is COc1ccc2c(c1)CCN2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-indole?
The InChIKey is YYDYAQAVAHKFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1H-indole?
5-methoxy-2,3-dihydro-1H-indole has a molecular weight of 149.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 10701974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).