1-(6-hydroxyhexyl)-7-methylindole-2,3-dione

C15H19NO3 — CID 107704083

IUPAC1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
SMILESCc1cccc2c1N(CCCCCCO)C(=O)C2=O
InChIInChI=1S/C15H19NO3/c1-11-7-6-8-12-13(11)16(15(19)14(12)18)9-4-2-3-5-10-17/h6-8,17H,2-5,9-10H2,1H3
InChIKeyQDUPXFJIUGPDAE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.08
Rot. Bonds6

About 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione

1-(6-hydroxyhexyl)-7-methylindole-2,3-dione (PubChem CID 107704083) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
PubChem CID107704083
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
SMILESCc1cccc2c1N(CCCCCCO)C(=O)C2=O
InChIInChI=1S/C15H19NO3/c1-11-7-6-8-12-13(11)16(15(19)14(12)18)9-4-2-3-5-10-17/h6-8,17H,2-5,9-10H2,1H3
InChIKeyQDUPXFJIUGPDAE-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180
7-bromo-1-(5-hydroxypentyl)indole-2,3-dione
CID 62226920
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
5-(7-methyl-2,3-dioxoindol-1-yl)pentanenitrile
CID 54965736
1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
CID 103410222
methyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 61146876
1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
CID 61387911
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
7-methyl-1-(2-oxobutyl)indole-2,3-dione
CID 62039974
7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
CID 3157311
tert-butyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 116662664

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione?
The IUPAC name of 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione (CID 107704083) is 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione.
What is the SMILES notation for 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione?
The canonical SMILES for 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione is Cc1cccc2c1N(CCCCCCO)C(=O)C2=O.
What is the InChIKey of 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione?
The InChIKey is QDUPXFJIUGPDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-7-6-8-12-13(11)16(15(19)14(12)18)9-4-2-3-5-10-17/h6-8,17H,2-5,9-10H2,1H3.
What are the key properties of 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione?
1-(6-hydroxyhexyl)-7-methylindole-2,3-dione has a molecular weight of 261.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxyhexyl)-7-methylindole-2,3-dione is sourced from PubChem (CID 107704083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).