2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one

C18H22N2O2 — CID 20681379

IUPAC2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
SMILESCC(C)C(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)C(C)C)CC3
InChIInChI=1S/C18H22N2O2/c1-10(2)17(21)15-9-13-12-7-8-20(18(22)11(3)4)16(12)6-5-14(13)19-15/h5-6,9-11,19H,7-8H2,1-4H3
InChIKeyKHHQRIYUGJGUAZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.55
Rot. Bonds3

About 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one

2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one (PubChem CID 20681379) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
PubChem CID20681379
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
SMILESCC(C)C(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)C(C)C)CC3
InChIInChI=1S/C18H22N2O2/c1-10(2)17(21)15-9-13-12-7-8-20(18(22)11(3)4)16(12)6-5-14(13)19-15/h5-6,9-11,19H,7-8H2,1-4H3
InChIKeyKHHQRIYUGJGUAZ-UHFFFAOYSA-N
XLogP3.55
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)propan-1-one
CID 142266679
1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone
CID 54141257
(2,3,5,6-tetrafluorophenyl) 6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480264
1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone
CID 142216813
methyl 6-[6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 10483430
2-[2-(2-acetyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;[bis[bis(phosphanyl)phosphanyl]-deuteriomethyl]-bis[bis(phosphanyl)phosphanyl]phosphane
CID 90829844
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
(2,3,5,6-tetrafluorophenyl) 6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480265
1-(4-ethynyl-1H-indol-2-yl)-2-methylpropan-1-one
CID 142619687
7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone
CID 175705264
2-bromo-3-methyl-1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258865
N-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)carbamate;1-propoxypropane
CID 54415851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one (CID 20681379) is 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one is CC(C)C(=O)c1cc2c3c(ccc2[nH]1)N(C(=O)C(C)C)CC3.
What is the InChIKey of 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one?
The InChIKey is KHHQRIYUGJGUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-10(2)17(21)15-9-13-12-7-8-20(18(22)11(3)4)16(12)6-5-14(13)19-15/h5-6,9-11,19H,7-8H2,1-4H3.
What are the key properties of 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one?
2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one is sourced from PubChem (CID 20681379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).