6-methoxy-5,6-dihydro-1H-indole

C9H11NO — CID 89135626

IUPAC6-methoxy-5,6-dihydro-1H-indole
SMILESCOC1C=c2[nH]ccc2=CC1
InChIInChI=1S/C9H11NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2,4-6,8,10H,3H2,1H3
InChIKeyDUKJFDZJNHDLLA-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.01
Rot. Bonds1

About 6-methoxy-5,6-dihydro-1H-indole

6-methoxy-5,6-dihydro-1H-indole (PubChem CID 89135626) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 6-methoxy-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name6-methoxy-5,6-dihydro-1H-indole
PubChem CID89135626
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name6-methoxy-5,6-dihydro-1H-indole
SMILESCOC1C=c2[nH]ccc2=CC1
InChIInChI=1S/C9H11NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2,4-6,8,10H,3H2,1H3
InChIKeyDUKJFDZJNHDLLA-UHFFFAOYSA-N
XLogP-0.01
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5,6-dihydro-1H-indole?
The IUPAC name of 6-methoxy-5,6-dihydro-1H-indole (CID 89135626) is 6-methoxy-5,6-dihydro-1H-indole.
What is the SMILES notation for 6-methoxy-5,6-dihydro-1H-indole?
The canonical SMILES for 6-methoxy-5,6-dihydro-1H-indole is COC1C=c2[nH]ccc2=CC1.
What is the InChIKey of 6-methoxy-5,6-dihydro-1H-indole?
The InChIKey is DUKJFDZJNHDLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2,4-6,8,10H,3H2,1H3.
What are the key properties of 6-methoxy-5,6-dihydro-1H-indole?
6-methoxy-5,6-dihydro-1H-indole has a molecular weight of 149.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5,6-dihydro-1H-indole is sourced from PubChem (CID 89135626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).