2-methoxy-2-(1-methylindol-3-yl)acetaldehyde

C12H13NO2 — CID 112709875

IUPAC2-methoxy-2-(1-methylindol-3-yl)acetaldehyde
SMILESCOC(C=O)c1cn(C)c2ccccc12
InChIInChI=1S/C12H13NO2/c1-13-7-10(12(8-14)15-2)9-5-3-4-6-11(9)13/h3-8,12H,1-2H3
InChIKeyOLIPPEBAWZSFQD-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.06
Rot. Bonds3

About 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde

2-methoxy-2-(1-methylindol-3-yl)acetaldehyde (PubChem CID 112709875) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-methoxy-2-(1-methylindol-3-yl)acetaldehyde
PubChem CID112709875
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-methoxy-2-(1-methylindol-3-yl)acetaldehyde
SMILESCOC(C=O)c1cn(C)c2ccccc12
InChIInChI=1S/C12H13NO2/c1-13-7-10(12(8-14)15-2)9-5-3-4-6-11(9)13/h3-8,12H,1-2H3
InChIKeyOLIPPEBAWZSFQD-UHFFFAOYSA-N
XLogP2.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.06
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

methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
2-(1-methylindol-3-yl)butanal
CID 112709860
1-methyl-3-propan-2-ylindole
CID 10942942
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
(3S)-4-methyl-3-(1-methylindol-3-yl)pentanal
CID 86588400
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide
CID 155048137
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693
(E)-4-(methylamino)-4-(1-methylindol-3-yl)but-2-enoic acid
CID 116956323
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde?
The IUPAC name of 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde (CID 112709875) is 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde.
What is the SMILES notation for 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde?
The canonical SMILES for 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde is COC(C=O)c1cn(C)c2ccccc12.
What is the InChIKey of 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde?
The InChIKey is OLIPPEBAWZSFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-7-10(12(8-14)15-2)9-5-3-4-6-11(9)13/h3-8,12H,1-2H3.
What are the key properties of 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde?
2-methoxy-2-(1-methylindol-3-yl)acetaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1-methylindol-3-yl)acetaldehyde is sourced from PubChem (CID 112709875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).