1-(6-bromo-1H-indol-2-yl)hexan-1-one

C14H16BrNO — CID 158524896

IUPAC1-(6-bromo-1H-indol-2-yl)hexan-1-one
SMILESCCCCCC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H16BrNO/c1-2-3-4-5-14(17)13-8-10-6-7-11(15)9-12(10)16-13/h6-9,16H,2-5H2,1H3
InChIKeyZMKPMVDEJYAMPG-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.69
Rot. Bonds5

About 1-(6-bromo-1H-indol-2-yl)hexan-1-one

1-(6-bromo-1H-indol-2-yl)hexan-1-one (PubChem CID 158524896) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-(6-bromo-1H-indol-2-yl)hexan-1-one.

Molecular Properties

Compound Name1-(6-bromo-1H-indol-2-yl)hexan-1-one
PubChem CID158524896
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-(6-bromo-1H-indol-2-yl)hexan-1-one
SMILESCCCCCC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H16BrNO/c1-2-3-4-5-14(17)13-8-10-6-7-11(15)9-12(10)16-13/h6-9,16H,2-5H2,1H3
InChIKeyZMKPMVDEJYAMPG-UHFFFAOYSA-N
XLogP4.69
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-1H-indol-2-yl)heptan-1-one
CID 66777278
6-bromo-2-octyl-1H-indole
CID 86224131
1-(4-bromo-2-chlorophenyl)undecan-1-one
CID 114968877
1-[5-bromo-2-(4-bromo-2-undecanoylphenyl)phenyl]undecan-1-one
CID 69436336
1-(5-bromo-2-methylphenyl)decan-1-one
CID 114966443
3-[(6-bromo-1H-indole-2-carbonyl)-ethylamino]propanoic acid
CID 119191208
1-(3-bromophenyl)dodecan-1-one
CID 146009457
1-(2-amino-4-bromophenyl)undecan-1-one
CID 116591772
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 86953104
1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
2-[(6-bromo-1H-indole-2-carbonyl)-butan-2-ylamino]acetic acid
CID 119955170

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indol-2-yl)hexan-1-one?
The IUPAC name of 1-(6-bromo-1H-indol-2-yl)hexan-1-one (CID 158524896) is 1-(6-bromo-1H-indol-2-yl)hexan-1-one.
What is the SMILES notation for 1-(6-bromo-1H-indol-2-yl)hexan-1-one?
The canonical SMILES for 1-(6-bromo-1H-indol-2-yl)hexan-1-one is CCCCCC(=O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 1-(6-bromo-1H-indol-2-yl)hexan-1-one?
The InChIKey is ZMKPMVDEJYAMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-2-3-4-5-14(17)13-8-10-6-7-11(15)9-12(10)16-13/h6-9,16H,2-5H2,1H3.
What are the key properties of 1-(6-bromo-1H-indol-2-yl)hexan-1-one?
1-(6-bromo-1H-indol-2-yl)hexan-1-one has a molecular weight of 294.19 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indol-2-yl)hexan-1-one is sourced from PubChem (CID 158524896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).