1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one

C23H29N3O — CID 122231208

IUPAC1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one
SMILESCCCCCN1C(=O)C2(CN(CCCC)c3ncccc32)c2ccccc21
InChIInChI=1S/C23H29N3O/c1-3-5-9-16-26-20-13-8-7-11-18(20)23(22(26)27)17-25(15-6-4-2)21-19(23)12-10-14-24-21/h7-8,10-14H,3-6,9,15-17H2,1-2H3
InChIKeyHVAJOMFKKRJGQI-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.52
Rot. Bonds7

About 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one

1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one (PubChem CID 122231208) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one
PubChem CID122231208
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one
SMILESCCCCCN1C(=O)C2(CN(CCCC)c3ncccc32)c2ccccc21
InChIInChI=1S/C23H29N3O/c1-3-5-9-16-26-20-13-8-7-11-18(20)23(22(26)27)17-25(15-6-4-2)21-19(23)12-10-14-24-21/h7-8,10-14H,3-6,9,15-17H2,1-2H3
InChIKeyHVAJOMFKKRJGQI-UHFFFAOYSA-N
XLogP4.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one
CID 122231206
1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 11848303
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
1'-pentyl-5-pyridin-4-ylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263356
(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
CID 166449110
(3S)-1-hexyl-3-hydroxy-3-[(2S)-2-hydroxypropyl]indol-2-one
CID 9177416
5-chloro-6-fluoro-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263479
(3S)-5-bromo-1-butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7013959
6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263516
(3S)-1-butyl-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2056627
(3S)-1-butyl-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 7281128

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one?
The IUPAC name of 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one (CID 122231208) is 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one.
What is the SMILES notation for 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one?
The canonical SMILES for 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one is CCCCCN1C(=O)C2(CN(CCCC)c3ncccc32)c2ccccc21.
What is the InChIKey of 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one?
The InChIKey is HVAJOMFKKRJGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-5-9-16-26-20-13-8-7-11-18(20)23(22(26)27)17-25(15-6-4-2)21-19(23)12-10-14-24-21/h7-8,10-14H,3-6,9,15-17H2,1-2H3.
What are the key properties of 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one?
1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one has a molecular weight of 363.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one is sourced from PubChem (CID 122231208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).