2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde

C11H9NO3 — CID 50901388

IUPAC2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
SMILESCOc1ccc2[nH]cc(C(=O)C=O)c2c1
InChIInChI=1S/C11H9NO3/c1-15-7-2-3-10-8(4-7)9(5-12-10)11(14)6-13/h2-6,12H,1H3
InChIKeyJJWOFVVBSXRHIB-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.56
Rot. Bonds3

About 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde

2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde (PubChem CID 50901388) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
PubChem CID50901388
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
SMILESCOc1ccc2[nH]cc(C(=O)C=O)c2c1
InChIInChI=1S/C11H9NO3/c1-15-7-2-3-10-8(4-7)9(5-12-10)11(14)6-13/h2-6,12H,1H3
InChIKeyJJWOFVVBSXRHIB-UHFFFAOYSA-N
XLogP1.56
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 103555921
2-(5,6-dimethyl-1H-indol-3-yl)-2-oxoacetaldehyde
CID 174428230

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde (CID 50901388) is 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde is COc1ccc2[nH]cc(C(=O)C=O)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde?
The InChIKey is JJWOFVVBSXRHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-7-2-3-10-8(4-7)9(5-12-10)11(14)6-13/h2-6,12H,1H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde?
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde has a molecular weight of 203.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 50901388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).