3-(6-methoxy-1H-indol-3-yl)prop-2-enal

C12H11NO2 — CID 71445769

IUPAC3-(6-methoxy-1H-indol-3-yl)prop-2-enal
SMILESCOc1ccc2c(C=CC=O)c[nH]c2c1
InChIInChI=1S/C12H11NO2/c1-15-10-4-5-11-9(3-2-6-14)8-13-12(11)7-10/h2-8,13H,1H3
InChIKeyKZZVZNOYUBCSCD-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.39
Rot. Bonds3

About 3-(6-methoxy-1H-indol-3-yl)prop-2-enal

3-(6-methoxy-1H-indol-3-yl)prop-2-enal (PubChem CID 71445769) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(6-methoxy-1H-indol-3-yl)prop-2-enal.

Molecular Properties

Compound Name3-(6-methoxy-1H-indol-3-yl)prop-2-enal
PubChem CID71445769
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-(6-methoxy-1H-indol-3-yl)prop-2-enal
SMILESCOc1ccc2c(C=CC=O)c[nH]c2c1
InChIInChI=1S/C12H11NO2/c1-15-10-4-5-11-9(3-2-6-14)8-13-12(11)7-10/h2-8,13H,1H3
InChIKeyKZZVZNOYUBCSCD-UHFFFAOYSA-N
XLogP2.39
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-1H-indole-3-carbonitrile
CID 53401197
5-methoxy-2-(3-oxoprop-1-enyl)benzamide
CID 169459619
1-chloro-4-(5-methoxy-1H-indol-3-yl)but-3-en-2-one
CID 77040377
2-hydroxy-N-[(Z)-(6-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 136705009
(2E,4E)-5-(2-chloro-4-methoxyphenyl)penta-2,4-dienal
CID 143512084
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
7-methoxy-3-phenyl-1H-quinolin-4-one
CID 18771325
6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
3-[(2S)-aziridin-2-yl]-6-methoxy-1H-indole
CID 55263522
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
6-methoxy-3-(2-nitroethyl)-1H-indole
CID 71331242

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1H-indol-3-yl)prop-2-enal?
The IUPAC name of 3-(6-methoxy-1H-indol-3-yl)prop-2-enal (CID 71445769) is 3-(6-methoxy-1H-indol-3-yl)prop-2-enal.
What is the SMILES notation for 3-(6-methoxy-1H-indol-3-yl)prop-2-enal?
The canonical SMILES for 3-(6-methoxy-1H-indol-3-yl)prop-2-enal is COc1ccc2c(C=CC=O)c[nH]c2c1.
What is the InChIKey of 3-(6-methoxy-1H-indol-3-yl)prop-2-enal?
The InChIKey is KZZVZNOYUBCSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-10-4-5-11-9(3-2-6-14)8-13-12(11)7-10/h2-8,13H,1H3.
What are the key properties of 3-(6-methoxy-1H-indol-3-yl)prop-2-enal?
3-(6-methoxy-1H-indol-3-yl)prop-2-enal has a molecular weight of 201.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1H-indol-3-yl)prop-2-enal is sourced from PubChem (CID 71445769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).