7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde

C12H13NO2 — CID 82373470

IUPAC7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
SMILESCOc1ccc(C)c2c(C)c(C=O)[nH]c12
InChIInChI=1S/C12H13NO2/c1-7-4-5-10(15-3)12-11(7)8(2)9(6-14)13-12/h4-6,13H,1-3H3
InChIKeyJHZFLQOARBAADM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.61
Rot. Bonds2

About 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde

7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde (PubChem CID 82373470) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
PubChem CID82373470
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
SMILESCOc1ccc(C)c2c(C)c(C=O)[nH]c12
InChIInChI=1S/C12H13NO2/c1-7-4-5-10(15-3)12-11(7)8(2)9(6-14)13-12/h4-6,13H,1-3H3
InChIKeyJHZFLQOARBAADM-UHFFFAOYSA-N
XLogP2.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.61
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

4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
CID 105455213
3-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
CID 82391920
(7-methoxy-3,4-dimethyl-1H-indol-2-yl)methanol
CID 84620551
2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
CID 55127526
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-2-amine
CID 84627124
2-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82500844
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-amine
CID 84740818
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
CID 172970685
8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde
CID 84631857
4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84638531
8-methoxy-5-methyl-1H-quinoline-4-thione
CID 84620575

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde?
The IUPAC name of 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde (CID 82373470) is 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde is COc1ccc(C)c2c(C)c(C=O)[nH]c12.
What is the InChIKey of 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde?
The InChIKey is JHZFLQOARBAADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-4-5-10(15-3)12-11(7)8(2)9(6-14)13-12/h4-6,13H,1-3H3.
What are the key properties of 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde?
7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 82373470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).