2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone

C15H15N3O3 — CID 43794136

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone
SMILESCC1Cc2ccccc2N1CC(=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C15H15N3O3/c1-10-6-11-4-2-3-5-14(11)17(10)9-15(19)13-7-12(8-16-13)18(20)21/h2-5,7-8,10,16H,6,9H2,1H3
InChIKeyBWIBGXABRQYBES-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone

2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone (PubChem CID 43794136) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone
PubChem CID43794136
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone
SMILESCC1Cc2ccccc2N1CC(=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C15H15N3O3/c1-10-6-11-4-2-3-5-14(11)17(10)9-15(19)13-7-12(8-16-13)18(20)21/h2-5,7-8,10,16H,6,9H2,1H3
InChIKeyBWIBGXABRQYBES-UHFFFAOYSA-N
XLogP2.56
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3,5-dinitrobenzamide
CID 60599573
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 63611146
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2401395
1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7764901
3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)but-2-enoic acid
CID 77006272
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8724831
2-(2-methoxyphenyl)sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 61290360
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 31664917

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone (CID 43794136) is 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone is CC1Cc2ccccc2N1CC(=O)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone?
The InChIKey is BWIBGXABRQYBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-6-11-4-2-3-5-14(11)17(10)9-15(19)13-7-12(8-16-13)18(20)21/h2-5,7-8,10,16H,6,9H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone?
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone has a molecular weight of 285.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 43794136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).