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

C18H24N2O2 — CID 112540852

IUPAC1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one
SMILESCCOCCN1Cc2cc3c(C(=O)CC)cn(C)c3cc2C1
InChIInChI=1S/C18H24N2O2/c1-4-18(21)16-12-19(3)17-9-14-11-20(6-7-22-5-2)10-13(14)8-15(16)17/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyMTMBYIXFSCCVFY-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.12
Rot. Bonds6

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

1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one (PubChem CID 112540852) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one
PubChem CID112540852
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one
SMILESCCOCCN1Cc2cc3c(C(=O)CC)cn(C)c3cc2C1
InChIInChI=1S/C18H24N2O2/c1-4-18(21)16-12-19(3)17-9-14-11-20(6-7-22-5-2)10-13(14)8-15(16)17/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyMTMBYIXFSCCVFY-UHFFFAOYSA-N
XLogP3.12
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984021
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029
1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylic acid
CID 83984047
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
CID 112540856
3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984471
ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate
CID 83983597
2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol
CID 83984473
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-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-one
CID 112540873
2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine
CID 112540994
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983875
1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine
CID 112540993

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one?
The IUPAC name of 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one (CID 112540852) is 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one?
The canonical SMILES for 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one is CCOCCN1Cc2cc3c(C(=O)CC)cn(C)c3cc2C1.
What is the InChIKey of 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one?
The InChIKey is MTMBYIXFSCCVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-18(21)16-12-19(3)17-9-14-11-20(6-7-22-5-2)10-13(14)8-15(16)17/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one?
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one has a molecular weight of 300.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propan-1-one is sourced from PubChem (CID 112540852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).