5-(5-bromoindol-1-yl)pentanoic acid

C13H14BrNO2 — CID 43152065

IUPAC5-(5-bromoindol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1ccc2cc(Br)ccc21
InChIInChI=1S/C13H14BrNO2/c14-11-4-5-12-10(9-11)6-8-15(12)7-2-1-3-13(16)17/h4-6,8-9H,1-3,7H2,(H,16,17)
InChIKeyFPHJMJDCDLSXDP-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.66
Rot. Bonds5

About 5-(5-bromoindol-1-yl)pentanoic acid

5-(5-bromoindol-1-yl)pentanoic acid (PubChem CID 43152065) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-(5-bromoindol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-bromoindol-1-yl)pentanoic acid
PubChem CID43152065
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name5-(5-bromoindol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1ccc2cc(Br)ccc21
InChIInChI=1S/C13H14BrNO2/c14-11-4-5-12-10(9-11)6-8-15(12)7-2-1-3-13(16)17/h4-6,8-9H,1-3,7H2,(H,16,17)
InChIKeyFPHJMJDCDLSXDP-UHFFFAOYSA-N
XLogP3.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(5-nitroindol-1-yl)pentanoic acid
CID 21202644
4-(5-bromoindol-1-yl)but-2-enoic acid
CID 76940467
5-bromo-1-[11-methyl-10,10-di(propan-2-yl)dodecyl]indole
CID 152563642
4-[(5-bromoindol-1-yl)methyl]benzoic acid
CID 4576218
3-(1-hexylindol-5-yl)propanoic acid
CID 20770765
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
(2S,3R)-2-[3-(5-bromoindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 45490726
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259
5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid
CID 62269393
4-(5-bromoindol-1-yl)butoxy-tert-butyl-dimethylsilane
CID 151910538
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromoindol-1-yl)pentanoic acid?
The IUPAC name of 5-(5-bromoindol-1-yl)pentanoic acid (CID 43152065) is 5-(5-bromoindol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(5-bromoindol-1-yl)pentanoic acid?
The canonical SMILES for 5-(5-bromoindol-1-yl)pentanoic acid is O=C(O)CCCCn1ccc2cc(Br)ccc21.
What is the InChIKey of 5-(5-bromoindol-1-yl)pentanoic acid?
The InChIKey is FPHJMJDCDLSXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c14-11-4-5-12-10(9-11)6-8-15(12)7-2-1-3-13(16)17/h4-6,8-9H,1-3,7H2,(H,16,17).
What are the key properties of 5-(5-bromoindol-1-yl)pentanoic acid?
5-(5-bromoindol-1-yl)pentanoic acid has a molecular weight of 296.16 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromoindol-1-yl)pentanoic acid is sourced from PubChem (CID 43152065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).