1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone

C16H18N2O — CID 58433092

IUPAC1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC1=CN=C(C2Cc3ccccc3N2C(C)=O)C1
InChIInChI=1S/C16H18N2O/c1-3-12-8-14(17-10-12)16-9-13-6-4-5-7-15(13)18(16)11(2)19/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyISOLBNPYUOYYST-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.10
Rot. Bonds2

About 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone

1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 58433092) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID58433092
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC1=CN=C(C2Cc3ccccc3N2C(C)=O)C1
InChIInChI=1S/C16H18N2O/c1-3-12-8-14(17-10-12)16-9-13-6-4-5-7-15(13)18(16)11(2)19/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyISOLBNPYUOYYST-UHFFFAOYSA-N
XLogP3.10
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1-(2,3-dihydro-1H-indol-1-yl)prop-2-en-1-one
CID 23317889
1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
CID 4308221
2-Methyl-1-[(4-methylpiperidin-1-yl)acetyl]indoline
CID 16187662
1-(2-Methyl-2,3-dihydro-1H-indol-1-yl)-2-(piperidin-1-yl)ethan-1-onato
CID 43095
Spiro(cyclopentane-1,3'-indoline), 1'-acetyl-
CID 3039209
1-Acetyl-1'-methylspiro(indoline-3,3'-pyrrolidine)
CID 3048936
1-(3,3,5-Trimethylindolin-1-yl)ethan-1-one
CID 18684894
2-(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 2997916
1-[2-(2-phenylethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]propan-1-one
CID 12362471
1-Indolinyl-2-(4-methylpiperidyl)ethan-1-one
CID 2147973
2-(2-Methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 108993439

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone (CID 58433092) is 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone is CCC1=CN=C(C2Cc3ccccc3N2C(C)=O)C1.
What is the InChIKey of 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ISOLBNPYUOYYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-8-14(17-10-12)16-9-13-6-4-5-7-15(13)18(16)11(2)19/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 58433092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).