methyl 2-(5-formylindol-1-yl)acetate

C12H11NO3 — CID 102910523

IUPACmethyl 2-(5-formylindol-1-yl)acetate
SMILESCOC(=O)Cn1ccc2cc(C=O)ccc21
InChIInChI=1S/C12H11NO3/c1-16-12(15)7-13-5-4-10-6-9(8-14)2-3-11(10)13/h2-6,8H,7H2,1H3
InChIKeyQPGZJBNHVIGOKX-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.63
Rot. Bonds3

About methyl 2-(5-formylindol-1-yl)acetate

methyl 2-(5-formylindol-1-yl)acetate (PubChem CID 102910523) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 2-(5-formylindol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-formylindol-1-yl)acetate
PubChem CID102910523
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 2-(5-formylindol-1-yl)acetate
SMILESCOC(=O)Cn1ccc2cc(C=O)ccc21
InChIInChI=1S/C12H11NO3/c1-16-12(15)7-13-5-4-10-6-9(8-14)2-3-11(10)13/h2-6,8H,7H2,1H3
InChIKeyQPGZJBNHVIGOKX-UHFFFAOYSA-N
XLogP1.63
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.63
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

methyl 2-(5-hydroxyindol-1-yl)acetate
CID 20770839
N-ethyl-2-(5-formylindol-1-yl)acetamide
CID 102910515
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
methyl 5-formylindole-1-carboxylate
CID 59927720
methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102916342
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
[[1-(2-methoxy-2-oxoethyl)indol-5-yl]-methylamino] sulfite
CID 174720254
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
1-(2-methylbutyl)indole-5-carbaldehyde
CID 102910471
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
2-(6-formylindol-1-yl)acetamide
CID 28958282
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
CID 102910663

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-formylindol-1-yl)acetate?
The IUPAC name of methyl 2-(5-formylindol-1-yl)acetate (CID 102910523) is methyl 2-(5-formylindol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-formylindol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-formylindol-1-yl)acetate is COC(=O)Cn1ccc2cc(C=O)ccc21.
What is the InChIKey of methyl 2-(5-formylindol-1-yl)acetate?
The InChIKey is QPGZJBNHVIGOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-16-12(15)7-13-5-4-10-6-9(8-14)2-3-11(10)13/h2-6,8H,7H2,1H3.
What are the key properties of methyl 2-(5-formylindol-1-yl)acetate?
methyl 2-(5-formylindol-1-yl)acetate has a molecular weight of 217.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-formylindol-1-yl)acetate is sourced from PubChem (CID 102910523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).