6-(7-nitroindol-1-yl)hexan-1-ol

C14H18N2O3 — CID 107707117

IUPAC6-(7-nitroindol-1-yl)hexan-1-ol
SMILESO=[N+]([O-])c1cccc2ccn(CCCCCCO)c12
InChIInChI=1S/C14H18N2O3/c17-11-4-2-1-3-9-15-10-8-12-6-5-7-13(14(12)15)16(18)19/h5-8,10,17H,1-4,9,11H2
InChIKeyLIWFYBXUMXARJR-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.10
Rot. Bonds7

About 6-(7-nitroindol-1-yl)hexan-1-ol

6-(7-nitroindol-1-yl)hexan-1-ol (PubChem CID 107707117) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(7-nitroindol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(7-nitroindol-1-yl)hexan-1-ol
PubChem CID107707117
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-(7-nitroindol-1-yl)hexan-1-ol
SMILESO=[N+]([O-])c1cccc2ccn(CCCCCCO)c12
InChIInChI=1S/C14H18N2O3/c17-11-4-2-1-3-9-15-10-8-12-6-5-7-13(14(12)15)16(18)19/h5-8,10,17H,1-4,9,11H2
InChIKeyLIWFYBXUMXARJR-UHFFFAOYSA-N
XLogP3.10
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide
CID 114936098
1-(3-methylsulfonylpropyl)-7-nitroindole
CID 115874242
1-[3-(2-methoxyethoxy)propyl]-7-nitroindole
CID 103413364
1-but-3-enyl-7-nitroindole
CID 114936238
ethyl 3-(7-nitroindol-1-yl)propanoate
CID 114935544
N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide
CID 114936168
1-(2-methylprop-2-enyl)-7-nitroindole
CID 114936103
(Z)-2-methyl-4-(7-nitroindol-1-yl)but-2-enoic acid
CID 114935542
potassium trifluoro-[(7-nitroindol-1-yl)methyl]boranuide
CID 114936019
1-(3,3-diethoxypropyl)-7-nitroindole
CID 114936003
1-[(2,6-dichlorophenyl)methyl]-7-nitroindole
CID 114936176
1-[2-(1-methylpyrazol-4-yl)ethyl]-7-nitroindole
CID 103015566

Frequently Asked Questions

What is the IUPAC name of 6-(7-nitroindol-1-yl)hexan-1-ol?
The IUPAC name of 6-(7-nitroindol-1-yl)hexan-1-ol (CID 107707117) is 6-(7-nitroindol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(7-nitroindol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(7-nitroindol-1-yl)hexan-1-ol is O=[N+]([O-])c1cccc2ccn(CCCCCCO)c12.
What is the InChIKey of 6-(7-nitroindol-1-yl)hexan-1-ol?
The InChIKey is LIWFYBXUMXARJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-11-4-2-1-3-9-15-10-8-12-6-5-7-13(14(12)15)16(18)19/h5-8,10,17H,1-4,9,11H2.
What are the key properties of 6-(7-nitroindol-1-yl)hexan-1-ol?
6-(7-nitroindol-1-yl)hexan-1-ol has a molecular weight of 262.31 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-nitroindol-1-yl)hexan-1-ol is sourced from PubChem (CID 107707117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).