5-methoxy-1,7-dimethylindole-2-carbaldehyde

C12H13NO2 — CID 105455211

IUPAC5-methoxy-1,7-dimethylindole-2-carbaldehyde
SMILESCOc1cc(C)c2c(c1)cc(C=O)n2C
InChIInChI=1S/C12H13NO2/c1-8-4-11(15-3)6-9-5-10(7-14)13(2)12(8)9/h4-7H,1-3H3
InChIKeyVCJBLSFUUAJWIR-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.31
Rot. Bonds2

About 5-methoxy-1,7-dimethylindole-2-carbaldehyde

5-methoxy-1,7-dimethylindole-2-carbaldehyde (PubChem CID 105455211) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-methoxy-1,7-dimethylindole-2-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-1,7-dimethylindole-2-carbaldehyde
PubChem CID105455211
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-methoxy-1,7-dimethylindole-2-carbaldehyde
SMILESCOc1cc(C)c2c(c1)cc(C=O)n2C
InChIInChI=1S/C12H13NO2/c1-8-4-11(15-3)6-9-5-10(7-14)13(2)12(8)9/h4-7H,1-3H3
InChIKeyVCJBLSFUUAJWIR-UHFFFAOYSA-N
XLogP2.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde
CID 820649
1-(5-methoxy-1,7-dimethylindol-2-yl)-N-methylmethanamine
CID 84622943
6-methoxy-1,5-dimethylindole-2-carbaldehyde
CID 105455209
5-methoxy-1,7-dimethyl-2-pyrrolidin-2-ylindole
CID 84631519
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
5-methoxy-7-methylindole-1-carboxylate
CID 86701495
2-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 105454164
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate
CID 102511974
7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
CID 115007766
tert-butyl 5-methoxy-7-methylindole-1-carboxylate
CID 100913508
5-methoxy-1-(methoxymethyl)-7-methyl-2-prop-1-en-2-ylindole
CID 86052830
2-acetyl-5-methoxy-3-methylbenzaldehyde
CID 171021754

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,7-dimethylindole-2-carbaldehyde?
The IUPAC name of 5-methoxy-1,7-dimethylindole-2-carbaldehyde (CID 105455211) is 5-methoxy-1,7-dimethylindole-2-carbaldehyde.
What is the SMILES notation for 5-methoxy-1,7-dimethylindole-2-carbaldehyde?
The canonical SMILES for 5-methoxy-1,7-dimethylindole-2-carbaldehyde is COc1cc(C)c2c(c1)cc(C=O)n2C.
What is the InChIKey of 5-methoxy-1,7-dimethylindole-2-carbaldehyde?
The InChIKey is VCJBLSFUUAJWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-4-11(15-3)6-9-5-10(7-14)13(2)12(8)9/h4-7H,1-3H3.
What are the key properties of 5-methoxy-1,7-dimethylindole-2-carbaldehyde?
5-methoxy-1,7-dimethylindole-2-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,7-dimethylindole-2-carbaldehyde is sourced from PubChem (CID 105455211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).