4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one

C15H18N2O — CID 83983649

IUPAC4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one
SMILESCC(=O)CCc1cn(C)c2cc3c(cc12)CNC3
InChIInChI=1S/C15H18N2O/c1-10(18)3-4-11-9-17(2)15-6-13-8-16-7-12(13)5-14(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeySBIUPTOZNWQZIP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.30
Rot. Bonds3

About 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one

4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one (PubChem CID 83983649) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one
PubChem CID83983649
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one
SMILESCC(=O)CCc1cn(C)c2cc3c(cc12)CNC3
InChIInChI=1S/C15H18N2O/c1-10(18)3-4-11-9-17(2)15-6-13-8-16-7-12(13)5-14(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeySBIUPTOZNWQZIP-UHFFFAOYSA-N
XLogP2.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983606
ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate
CID 83983597
4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one
CID 112540759
1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83983625
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983875
4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol
CID 112540836
methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
CID 83983835
3-(6-hydroxy-1-methylindol-3-yl)propanoic acid
CID 71537680
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642
1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 141396393
1,5-dimethyl-3-(2-piperazin-1-ylethyl)indole-6-carboxylic acid
CID 83946995

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one?
The IUPAC name of 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one (CID 83983649) is 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one.
What is the SMILES notation for 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one?
The canonical SMILES for 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one is CC(=O)CCc1cn(C)c2cc3c(cc12)CNC3.
What is the InChIKey of 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one?
The InChIKey is SBIUPTOZNWQZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(18)3-4-11-9-17(2)15-6-13-8-16-7-12(13)5-14(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one?
4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one is sourced from PubChem (CID 83983649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).