propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate

C19H26N2O3 — CID 83983991

IUPACpropan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate
SMILESCOCCN1Cc2cc3c(CC(=O)OC(C)C)cn(C)c3cc2C1
InChIInChI=1S/C19H26N2O3/c1-13(2)24-19(22)9-16-10-20(3)18-8-15-12-21(5-6-23-4)11-14(15)7-17(16)18/h7-8,10,13H,5-6,9,11-12H2,1-4H3
InChIKeyFYHLJARBBXWBAQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.63
Rot. Bonds6

About propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate

propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate (PubChem CID 83983991) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate
PubChem CID83983991
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namepropan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate
SMILESCOCCN1Cc2cc3c(CC(=O)OC(C)C)cn(C)c3cc2C1
InChIInChI=1S/C19H26N2O3/c1-13(2)24-19(22)9-16-10-20(3)18-8-15-12-21(5-6-23-4)11-14(15)7-17(16)18/h7-8,10,13H,5-6,9,11-12H2,1-4H3
InChIKeyFYHLJARBBXWBAQ-UHFFFAOYSA-N
XLogP2.63
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate with MolForge

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Related Compounds

4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-one
CID 112540873
methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
CID 83983835
1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid
CID 83984047
4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine
CID 83984062
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983875
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
CID 112540856
methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984021
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one
CID 112540852
2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid
CID 83983983
4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol
CID 112540836
4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83983893

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate?
The IUPAC name of propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate (CID 83983991) is propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate?
The canonical SMILES for propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate is COCCN1Cc2cc3c(CC(=O)OC(C)C)cn(C)c3cc2C1.
What is the InChIKey of propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate?
The InChIKey is FYHLJARBBXWBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)24-19(22)9-16-10-20(3)18-8-15-12-21(5-6-23-4)11-14(15)7-17(16)18/h7-8,10,13H,5-6,9,11-12H2,1-4H3.
What are the key properties of propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate?
propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate has a molecular weight of 330.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate is sourced from PubChem (CID 83983991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).