1H-indole-6-carbaldehyde;methoxymethane

C11H13NO2 — CID 142993125

IUPAC1H-indole-6-carbaldehyde;methoxymethane
SMILESCOC.O=Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H7NO.C2H6O/c11-6-7-1-2-8-3-4-10-9(8)5-7;1-3-2/h1-6,10H;1-2H3
InChIKeyZJZMIQMLYIKNIC-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.24
Rot. Bonds1

About 1H-indole-6-carbaldehyde;methoxymethane

1H-indole-6-carbaldehyde;methoxymethane (PubChem CID 142993125) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1H-indole-6-carbaldehyde;methoxymethane.

Molecular Properties

Compound Name1H-indole-6-carbaldehyde;methoxymethane
PubChem CID142993125
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1H-indole-6-carbaldehyde;methoxymethane
SMILESCOC.O=Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H7NO.C2H6O/c11-6-7-1-2-8-3-4-10-9(8)5-7;1-3-2/h1-6,10H;1-2H3
InChIKeyZJZMIQMLYIKNIC-UHFFFAOYSA-N
XLogP2.24
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
CID 25050334
3-(1H-indol-5-yl)-4-methoxybenzaldehyde
CID 22391514
2-methoxy-1H-indole-6-carbaldehyde
CID 156692424
3-(1H-indol-6-yl)prop-2-en-1-amine
CID 169463691
(E)-3-(1H-indol-6-yl)prop-2-enenitrile
CID 131245943
naphthalene-2,6-dicarbaldehyde
CID 159038637
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
tert-butyl N-[(E)-1H-indol-6-ylmethylideneamino]carbamate
CID 71668946
(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
CID 18388284
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
hydron;6-methyl-1H-indole
CID 174894355
N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820

Frequently Asked Questions

What is the IUPAC name of 1H-indole-6-carbaldehyde;methoxymethane?
The IUPAC name of 1H-indole-6-carbaldehyde;methoxymethane (CID 142993125) is 1H-indole-6-carbaldehyde;methoxymethane.
What is the SMILES notation for 1H-indole-6-carbaldehyde;methoxymethane?
The canonical SMILES for 1H-indole-6-carbaldehyde;methoxymethane is COC.O=Cc1ccc2cc[nH]c2c1.
What is the InChIKey of 1H-indole-6-carbaldehyde;methoxymethane?
The InChIKey is ZJZMIQMLYIKNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C2H6O/c11-6-7-1-2-8-3-4-10-9(8)5-7;1-3-2/h1-6,10H;1-2H3.
What are the key properties of 1H-indole-6-carbaldehyde;methoxymethane?
1H-indole-6-carbaldehyde;methoxymethane has a molecular weight of 191.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-6-carbaldehyde;methoxymethane is sourced from PubChem (CID 142993125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).