methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate

C17H22N2O2 — CID 83983875

IUPACmethyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
SMILESCCN1Cc2cc3c(CCC(=O)OC)cn(C)c3cc2C1
InChIInChI=1S/C17H22N2O2/c1-4-19-10-13-7-15-12(5-6-17(20)21-3)9-18(2)16(15)8-14(13)11-19/h7-9H,4-6,10-11H2,1-3H3
InChIKeyDBVKOQPMYVENOY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.62
Rot. Bonds4

About methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate

methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate (PubChem CID 83983875) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
PubChem CID83983875
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Namemethyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
SMILESCCN1Cc2cc3c(CCC(=O)OC)cn(C)c3cc2C1
InChIInChI=1S/C17H22N2O2/c1-4-19-10-13-7-15-12(5-6-17(20)21-3)9-18(2)16(15)8-14(13)11-19/h7-9H,4-6,10-11H2,1-3H3
InChIKeyDBVKOQPMYVENOY-UHFFFAOYSA-N
XLogP2.62
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
CID 83983835
4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83983893
4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-one
CID 112540873
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642
propan-2-yl 2-[6-(2-methoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]acetate
CID 83983991
4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one
CID 83983649
2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid
CID 83983879
4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one
CID 112540759
methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984021
methyl 3-[1-methyl-6-(pentylcarbamoyloxy)indol-3-yl]propanoate
CID 140669701
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029
3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid
CID 83983863

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate?
The IUPAC name of methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate (CID 83983875) is methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate?
The canonical SMILES for methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate is CCN1Cc2cc3c(CCC(=O)OC)cn(C)c3cc2C1.
What is the InChIKey of methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate?
The InChIKey is DBVKOQPMYVENOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-19-10-13-7-15-12(5-6-17(20)21-3)9-18(2)16(15)8-14(13)11-19/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate?
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate has a molecular weight of 286.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate is sourced from PubChem (CID 83983875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).