2-methoxy-5H-indole

C9H9NO — CID 67762343

IUPAC2-methoxy-5H-indole
SMILESCOC1=CC2=CCC=CC2=N1
InChIInChI=1S/C9H9NO/c1-11-9-6-7-4-2-3-5-8(7)10-9/h3-6H,2H2,1H3
InChIKeyYMDROWARDPUCFA-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.82
Rot. Bonds1

About 2-methoxy-5H-indole

2-methoxy-5H-indole (PubChem CID 67762343) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-methoxy-5H-indole.

Molecular Properties

Compound Name2-methoxy-5H-indole
PubChem CID67762343
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-methoxy-5H-indole
SMILESCOC1=CC2=CCC=CC2=N1
InChIInChI=1S/C9H9NO/c1-11-9-6-7-4-2-3-5-8(7)10-9/h3-6H,2H2,1H3
InChIKeyYMDROWARDPUCFA-UHFFFAOYSA-N
XLogP1.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,12-Dimethoxybenzo[c][1,5]benzodiazocine
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Methoxymethylenbenzimidazol
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(E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate
CID 138966761
(4aZ,6E,10aZ,12Z)-6-methoxybenzo[c][1]benzazocine
CID 9562528
(6E,10aE,12Z)-6-methoxybenzo[c][1]benzazocine
CID 172025342
(1Z,7Z,13Z,15E)-15-methoxy-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 9562705
(4aZ,6E,10aZ,12E)-6,12-dimethoxybenzo[c][1,5]benzodiazocine
CID 11969551
(1E,3Z,10Z)-7-oxa-19-azatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,8,10,12,14,16,18-nonaene
CID 21887047
7-Oxa-19-azatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,8,10,12,14,16,18-nonaene
CID 53737397
iridium;4-phenyl-2H-1,3-oxazine
CID 58983204
6-methoxy-5H-indol-2-ol
CID 67918006

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5H-indole?
The IUPAC name of 2-methoxy-5H-indole (CID 67762343) is 2-methoxy-5H-indole.
What is the SMILES notation for 2-methoxy-5H-indole?
The canonical SMILES for 2-methoxy-5H-indole is COC1=CC2=CCC=CC2=N1.
What is the InChIKey of 2-methoxy-5H-indole?
The InChIKey is YMDROWARDPUCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-9-6-7-4-2-3-5-8(7)10-9/h3-6H,2H2,1H3.
What are the key properties of 2-methoxy-5H-indole?
2-methoxy-5H-indole has a molecular weight of 147.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5H-indole is sourced from PubChem (CID 67762343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).