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

C18H22N2O — CID 58433101

IUPAC1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCCCC1=CN=C(C2Cc3ccccc3N2C(C)=O)C1
InChIInChI=1S/C18H22N2O/c1-3-4-7-14-10-16(19-12-14)18-11-15-8-5-6-9-17(15)20(18)13(2)21/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3
InChIKeyQDCYGEVBKXDYPB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.88
Rot. Bonds4

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

1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 58433101) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID58433101
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCCCC1=CN=C(C2Cc3ccccc3N2C(C)=O)C1
InChIInChI=1S/C18H22N2O/c1-3-4-7-14-10-16(19-12-14)18-11-15-8-5-6-9-17(15)20(18)13(2)21/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3
InChIKeyQDCYGEVBKXDYPB-UHFFFAOYSA-N
XLogP3.88
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.88
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-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone (CID 58433101) is 1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone is CCCCC1=CN=C(C2Cc3ccccc3N2C(C)=O)C1.
What is the InChIKey of 1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is QDCYGEVBKXDYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-4-7-14-10-16(19-12-14)18-11-15-8-5-6-9-17(15)20(18)13(2)21/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3.
What are the key properties of 1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 282.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 58433101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).