2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one

C20H27N3O — CID 58433109

IUPAC2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(N)CCC)C1
InChIInChI=1S/C20H27N3O/c1-3-7-14-11-17(22-13-14)19-12-15-9-5-6-10-18(15)23(19)20(24)16(21)8-4-2/h5-6,9-10,13,16,19H,3-4,7-8,11-12,21H2,1-2H3
InChIKeyKQRJKYIPQVZSRS-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.60
Rot. Bonds6

About 2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one

2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one (PubChem CID 58433109) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one
PubChem CID58433109
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(N)CCC)C1
InChIInChI=1S/C20H27N3O/c1-3-7-14-11-17(22-13-14)19-12-15-9-5-6-10-18(15)23(19)20(24)16(21)8-4-2/h5-6,9-10,13,16,19H,3-4,7-8,11-12,21H2,1-2H3
InChIKeyKQRJKYIPQVZSRS-UHFFFAOYSA-N
XLogP3.60
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
N-(1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2954226
N-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)acetamide
CID 4236752
1''-Methyl-2''-spiro[benzimidazole-2,3''-indole]one
CID 659228
Butabindide
CID 9817923
(2S)-aminobutyryl-(2S)-indoline carboxylic acid ethylamide
CID 11572637
(2S)-aminobutyryl-(2S)-indoline carboxylic acid propylamide
CID 11580133
(2S)-aminobutyryl-(2S)-indoline carboxylic acid methylamide
CID 11680498
1-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 5296277
N-(2-Oxo-1-phenethyl-2,3-dihydro-1H-indol-3-yl)-acetamide
CID 646107
N-[1-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide
CID 2956948
N-cyclohexyl-2-(2,3-dihydro-1H-indol-1-yl)-2-phenylacetamide
CID 3680932

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one (CID 58433109) is 2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one is CCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(N)CCC)C1.
What is the InChIKey of 2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one?
The InChIKey is KQRJKYIPQVZSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-7-14-11-17(22-13-14)19-12-15-9-5-6-10-18(15)23(19)20(24)16(21)8-4-2/h5-6,9-10,13,16,19H,3-4,7-8,11-12,21H2,1-2H3.
What are the key properties of 2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one?
2-amino-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one has a molecular weight of 325.46 g/mol, XLogP of 3.60, 6 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-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]pentan-1-one is sourced from PubChem (CID 58433109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).