1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone

C14H16N2O — CID 54141257

IUPAC1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone
SMILESCCN1CCc2c1ccc1[nH]c(C(C)=O)cc21
InChIInChI=1S/C14H16N2O/c1-3-16-7-6-10-11-8-13(9(2)17)15-12(11)4-5-14(10)16/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyOBGPADCSXGAFQP-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.75
Rot. Bonds2

About 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone

1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone (PubChem CID 54141257) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone
PubChem CID54141257
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone
SMILESCCN1CCc2c1ccc1[nH]c(C(C)=O)cc21
InChIInChI=1S/C14H16N2O/c1-3-16-7-6-10-11-8-13(9(2)17)15-12(11)4-5-14(10)16/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyOBGPADCSXGAFQP-UHFFFAOYSA-N
XLogP2.75
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(2-methylidene-1,3-dihydrophosphole-5-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone
CID 142216813
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-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
CID 20681379
1-[6-[2-(methyldiazenyl)-1,3-benzothiazole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]ethanone
CID 159555973
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
N-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)carbamate;1-propoxypropane
CID 54415851
(2,3,5,6-tetrafluorophenyl) 6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480264
(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
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
[[6-[6-[6-(2-aminoacetyl)-7,8-dihydro-3H-pyrrolo[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-carbonyl]amino]methoxy-methylphosphinic acid
CID 58922260
2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
CID 145169161
1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one
CID 115105745

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone?
The IUPAC name of 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone (CID 54141257) is 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone.
What is the SMILES notation for 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone?
The canonical SMILES for 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone is CCN1CCc2c1ccc1[nH]c(C(C)=O)cc21.
What is the InChIKey of 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone?
The InChIKey is OBGPADCSXGAFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-16-7-6-10-11-8-13(9(2)17)15-12(11)4-5-14(10)16/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone?
1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone is sourced from PubChem (CID 54141257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).