5-bromo-1-(2-oxopentyl)indole-2,3-dione

C13H12BrNO3 — CID 62041410

IUPAC5-bromo-1-(2-oxopentyl)indole-2,3-dione
SMILESCCCC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H12BrNO3/c1-2-3-9(16)7-15-11-5-4-8(14)6-10(11)12(17)13(15)18/h4-6H,2-3,7H2,1H3
InChIKeyHNKDXOGDXYECPN-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.35
Rot. Bonds4

About 5-bromo-1-(2-oxopentyl)indole-2,3-dione

5-bromo-1-(2-oxopentyl)indole-2,3-dione (PubChem CID 62041410) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-1-(2-oxopentyl)indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-(2-oxopentyl)indole-2,3-dione
PubChem CID62041410
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name5-bromo-1-(2-oxopentyl)indole-2,3-dione
SMILESCCCC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H12BrNO3/c1-2-3-9(16)7-15-11-5-4-8(14)6-10(11)12(17)13(15)18/h4-6H,2-3,7H2,1H3
InChIKeyHNKDXOGDXYECPN-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
CID 61485417
3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325001
2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488838
5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
3-(5-bromo-2,3-dioxoindol-1-yl)propanamide
CID 43152576
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 61486272
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487892
methyl (E)-2-[(5-bromo-2,3-dioxoindol-1-yl)methyl]-3-phenylprop-2-enoate
CID 73350893
5-bromo-1-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]indole-2,3-dione
CID 175639476
5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide
CID 63579731
5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956
hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate
CID 66338418

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-oxopentyl)indole-2,3-dione?
The IUPAC name of 5-bromo-1-(2-oxopentyl)indole-2,3-dione (CID 62041410) is 5-bromo-1-(2-oxopentyl)indole-2,3-dione.
What is the SMILES notation for 5-bromo-1-(2-oxopentyl)indole-2,3-dione?
The canonical SMILES for 5-bromo-1-(2-oxopentyl)indole-2,3-dione is CCCC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(2-oxopentyl)indole-2,3-dione?
The InChIKey is HNKDXOGDXYECPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-2-3-9(16)7-15-11-5-4-8(14)6-10(11)12(17)13(15)18/h4-6H,2-3,7H2,1H3.
What are the key properties of 5-bromo-1-(2-oxopentyl)indole-2,3-dione?
5-bromo-1-(2-oxopentyl)indole-2,3-dione has a molecular weight of 310.15 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-oxopentyl)indole-2,3-dione is sourced from PubChem (CID 62041410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).