5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one

C23H24N2O2 — CID 126424334

IUPAC5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one
SMILESCCCC[C@@H]1C=CCN1C(=O)c1cccc(-c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C23H24N2O2/c1-2-3-8-20-9-5-12-25(20)23(27)18-7-4-6-16(13-18)17-10-11-21-19(14-17)15-22(26)24-21/h4-7,9-11,13-14,20H,2-3,8,12,15H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyMWZYBNSNVNJDSD-HXUWFJFHSA-N
MW360.46 g/mol
LogP4.42
Rot. Bonds5

About 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one

5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one (PubChem CID 126424334) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one
PubChem CID126424334
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one
SMILESCCCC[C@@H]1C=CCN1C(=O)c1cccc(-c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C23H24N2O2/c1-2-3-8-20-9-5-12-25(20)23(27)18-7-4-6-16(13-18)17-10-11-21-19(14-17)15-22(26)24-21/h4-7,9-11,13-14,20H,2-3,8,12,15H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyMWZYBNSNVNJDSD-HXUWFJFHSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone
CID 125443739
1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95221192
2-[[3-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]sulfonylamino]-N-methylacetamide
CID 99926742
2-[4-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-N-methylpyridine-4-carboxamide
CID 126430092
5-butyl-1,3-dihydroindol-2-one
CID 10219749
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712524
N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 110351108
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
CID 122662664
5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343622
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775453

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one (CID 126424334) is 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one is CCCC[C@@H]1C=CCN1C(=O)c1cccc(-c2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one?
The InChIKey is MWZYBNSNVNJDSD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-2-3-8-20-9-5-12-25(20)23(27)18-7-4-6-16(13-18)17-10-11-21-19(14-17)15-22(26)24-21/h4-7,9-11,13-14,20H,2-3,8,12,15H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one?
5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one has a molecular weight of 360.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 126424334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).