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

C16H19N3O — CID 58433058

IUPAC2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC1=CN=C(C2Cc3ccccc3N2C(=O)CN)C1
InChIInChI=1S/C16H19N3O/c1-2-11-7-13(18-10-11)15-8-12-5-3-4-6-14(12)19(15)16(20)9-17/h3-6,10,15H,2,7-9,17H2,1H3
InChIKeyFUYDJAYRXTUONR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.04
Rot. Bonds3

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

2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 58433058) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID58433058
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCCC1=CN=C(C2Cc3ccccc3N2C(=O)CN)C1
InChIInChI=1S/C16H19N3O/c1-2-11-7-13(18-10-11)15-8-12-5-3-4-6-14(12)19(15)16(20)9-17/h3-6,10,15H,2,7-9,17H2,1H3
InChIKeyFUYDJAYRXTUONR-UHFFFAOYSA-N
XLogP2.04
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
CID 4308221
N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride
CID 45488952
2-Methyl-1-[(4-methylpiperidin-1-yl)acetyl]indoline
CID 16187662
1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471946
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471950
1-(2-Methyl-2,3-dihydro-1H-indol-1-yl)-2-(piperidin-1-yl)ethan-1-onato
CID 43095
2-(4-iminoquinolin-1(4H)-yl)-N,N-dipropylacetamide
CID 6602912
N-(sec-butyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
CID 15992383
1-Indolinyl-2-(4-methylpiperidyl)ethan-1-one
CID 2147973
N-(cyclopentylcarbamoyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 4354751
(R)-3-amino-1-methyl-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one
CID 7216757
2-(2-Methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 108993439

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone (CID 58433058) is 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone is CCC1=CN=C(C2Cc3ccccc3N2C(=O)CN)C1.
What is the InChIKey of 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is FUYDJAYRXTUONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-11-7-13(18-10-11)15-8-12-5-3-4-6-14(12)19(15)16(20)9-17/h3-6,10,15H,2,7-9,17H2,1H3.
What are the key properties of 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 269.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 58433058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).