5-methyl-1-oxidoindole

C9H8NO- — CID 175184350

IUPAC5-methyl-1-oxidoindole
SMILESCc1ccc2c(ccn2[O-])c1
InChIInChI=1S/C9H8NO/c1-7-2-3-9-8(6-7)4-5-10(9)11/h2-6H,1H3/q-1
InChIKeyIDWKUEASZCYXJI-UHFFFAOYSA-N
MW146.17 g/mol
LogP2.30
Rot. Bonds

About 5-methyl-1-oxidoindole

5-methyl-1-oxidoindole (PubChem CID 175184350) has the molecular formula C9H8NO- and a molecular weight of 146.17 g/mol. Its IUPAC name is 5-methyl-1-oxidoindole.

Molecular Properties

Compound Name5-methyl-1-oxidoindole
PubChem CID175184350
Molecular FormulaC9H8NO-
Molecular Weight146.17 g/mol
Exact Mass146.06
IUPAC Name5-methyl-1-oxidoindole
SMILESCc1ccc2c(ccn2[O-])c1
InChIInChI=1S/C9H8NO/c1-7-2-3-9-8(6-7)4-5-10(9)11/h2-6H,1H3/q-1
InChIKeyIDWKUEASZCYXJI-UHFFFAOYSA-N
XLogP2.30
TPSA27.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethylpropyl)-5-methylindole
CID 90966063
(5-methylindol-1-yl)-tri(propan-2-yl)silane
CID 24754943
1-(methoxymethyl)-5-methylindole
CID 110831319
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
1-(2-methoxyethyl)-5-methylindole
CID 116622979
5-methyl-1-(2-pyridin-4-ylethyl)indole
CID 116622832
2-chloro-1-(5-methylindol-1-yl)ethanone
CID 134909164
1-(5-methylindol-1-yl)prop-2-en-1-one
CID 134938352
1-methoxy-3-(5-methylindol-1-yl)propan-2-one
CID 107507773
5-methyl-1-(oxiran-2-ylmethyl)indole
CID 54857157
5-methyl-1-(3-methylbut-3-enyl)indole
CID 114476776

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-oxidoindole?
The IUPAC name of 5-methyl-1-oxidoindole (CID 175184350) is 5-methyl-1-oxidoindole.
What is the SMILES notation for 5-methyl-1-oxidoindole?
The canonical SMILES for 5-methyl-1-oxidoindole is Cc1ccc2c(ccn2[O-])c1.
What is the InChIKey of 5-methyl-1-oxidoindole?
The InChIKey is IDWKUEASZCYXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO/c1-7-2-3-9-8(6-7)4-5-10(9)11/h2-6H,1H3/q-1.
What are the key properties of 5-methyl-1-oxidoindole?
5-methyl-1-oxidoindole has a molecular weight of 146.17 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-oxidoindole is sourced from PubChem (CID 175184350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).