1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C19H22N2O2 — CID 86873025

IUPAC1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCCc1c(C(=O)N2CCc3ccc(C)cc32)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H22N2O2/c1-5-15-17(13(4)22)12(3)20-18(15)19(23)21-9-8-14-7-6-11(2)10-16(14)21/h6-7,10,20H,5,8-9H2,1-4H3
InChIKeySEOPYVIHNZOKIP-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.60
Rot. Bonds3

About 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone

1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 86873025) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID86873025
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCCc1c(C(=O)N2CCc3ccc(C)cc32)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H22N2O2/c1-5-15-17(13(4)22)12(3)20-18(15)19(23)21-9-8-14-7-6-11(2)10-16(14)21/h6-7,10,20H,5,8-9H2,1-4H3
InChIKeySEOPYVIHNZOKIP-UHFFFAOYSA-N
XLogP3.60
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 71873940
1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 20858592
1-[2,4-dimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 37163175
6-methyl-3-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 86873019
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742
1-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 120659774
N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 48893825
2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
CID 113207338
1-[4-ethyl-2-methyl-5-[(2R)-2-(5-methylfuran-2-yl)azepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 99809701
1-[4-ethyl-5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 120736281
1-[4-ethyl-2-methyl-5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 55821662

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 86873025) is 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone is CCc1c(C(=O)N2CCc3ccc(C)cc32)[nH]c(C)c1C(C)=O.
What is the InChIKey of 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is SEOPYVIHNZOKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-5-15-17(13(4)22)12(3)20-18(15)19(23)21-9-8-14-7-6-11(2)10-16(14)21/h6-7,10,20H,5,8-9H2,1-4H3.
What are the key properties of 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-methyl-5-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 86873025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).