3-formyl-7-methoxy-1-methylindole-4-carbonitrile

C12H10N2O2 — CID 82394067

IUPAC3-formyl-7-methoxy-1-methylindole-4-carbonitrile
SMILESCOc1ccc(C#N)c2c(C=O)cn(C)c12
InChIInChI=1S/C12H10N2O2/c1-14-6-9(7-15)11-8(5-13)3-4-10(16-2)12(11)14/h3-4,6-7H,1-2H3
InChIKeyFURSKCLWTRQOAR-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.87
Rot. Bonds2

About 3-formyl-7-methoxy-1-methylindole-4-carbonitrile

3-formyl-7-methoxy-1-methylindole-4-carbonitrile (PubChem CID 82394067) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-formyl-7-methoxy-1-methylindole-4-carbonitrile.

Molecular Properties

Compound Name3-formyl-7-methoxy-1-methylindole-4-carbonitrile
PubChem CID82394067
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-formyl-7-methoxy-1-methylindole-4-carbonitrile
SMILESCOc1ccc(C#N)c2c(C=O)cn(C)c12
InChIInChI=1S/C12H10N2O2/c1-14-6-9(7-15)11-8(5-13)3-4-10(16-2)12(11)14/h3-4,6-7H,1-2H3
InChIKeyFURSKCLWTRQOAR-UHFFFAOYSA-N
XLogP1.87
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride
CID 82374092
2-fluoro-3-formyl-4-methoxybenzonitrile
CID 131267747
3,4-diformyl-2-methoxybenzonitrile
CID 171028234
3-acetyl-4-formyl-2-methoxybenzonitrile
CID 171012637
4-(4-formyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile
CID 16762075
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile
CID 134524092
4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
2-formyl-3-methoxybenzonitrile
CID 122401577
N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]formamide
CID 135369624
1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
CID 82495456
4-amino-5-methoxy-1-methylindole-3-carbaldehyde;ethanol;5-methoxy-1-methyl-4-nitroindole-3-carbaldehyde
CID 159830125

Frequently Asked Questions

What is the IUPAC name of 3-formyl-7-methoxy-1-methylindole-4-carbonitrile?
The IUPAC name of 3-formyl-7-methoxy-1-methylindole-4-carbonitrile (CID 82394067) is 3-formyl-7-methoxy-1-methylindole-4-carbonitrile.
What is the SMILES notation for 3-formyl-7-methoxy-1-methylindole-4-carbonitrile?
The canonical SMILES for 3-formyl-7-methoxy-1-methylindole-4-carbonitrile is COc1ccc(C#N)c2c(C=O)cn(C)c12.
What is the InChIKey of 3-formyl-7-methoxy-1-methylindole-4-carbonitrile?
The InChIKey is FURSKCLWTRQOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-14-6-9(7-15)11-8(5-13)3-4-10(16-2)12(11)14/h3-4,6-7H,1-2H3.
What are the key properties of 3-formyl-7-methoxy-1-methylindole-4-carbonitrile?
3-formyl-7-methoxy-1-methylindole-4-carbonitrile has a molecular weight of 214.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-7-methoxy-1-methylindole-4-carbonitrile is sourced from PubChem (CID 82394067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).