7-methyl-3-nonyl-2,3-dihydro-1H-indole

C18H29N — CID 106986257

IUPAC7-methyl-3-nonyl-2,3-dihydro-1H-indole
SMILESCCCCCCCCCC1CNc2c(C)cccc21
InChIInChI=1S/C18H29N/c1-3-4-5-6-7-8-9-12-16-14-19-18-15(2)11-10-13-17(16)18/h10-11,13,16,19H,3-9,12,14H2,1-2H3
InChIKeyJAVZYOVQGSSIAJ-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.64
Rot. Bonds8

About 7-methyl-3-nonyl-2,3-dihydro-1H-indole

7-methyl-3-nonyl-2,3-dihydro-1H-indole (PubChem CID 106986257) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 7-methyl-3-nonyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-methyl-3-nonyl-2,3-dihydro-1H-indole
PubChem CID106986257
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name7-methyl-3-nonyl-2,3-dihydro-1H-indole
SMILESCCCCCCCCCC1CNc2c(C)cccc21
InChIInChI=1S/C18H29N/c1-3-4-5-6-7-8-9-12-16-14-19-18-15(2)11-10-13-17(16)18/h10-11,13,16,19H,3-9,12,14H2,1-2H3
InChIKeyJAVZYOVQGSSIAJ-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.64
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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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-nonyl-2,3-dihydro-1H-indole?
The IUPAC name of 7-methyl-3-nonyl-2,3-dihydro-1H-indole (CID 106986257) is 7-methyl-3-nonyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-methyl-3-nonyl-2,3-dihydro-1H-indole?
The canonical SMILES for 7-methyl-3-nonyl-2,3-dihydro-1H-indole is CCCCCCCCCC1CNc2c(C)cccc21.
What is the InChIKey of 7-methyl-3-nonyl-2,3-dihydro-1H-indole?
The InChIKey is JAVZYOVQGSSIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-4-5-6-7-8-9-12-16-14-19-18-15(2)11-10-13-17(16)18/h10-11,13,16,19H,3-9,12,14H2,1-2H3.
What are the key properties of 7-methyl-3-nonyl-2,3-dihydro-1H-indole?
7-methyl-3-nonyl-2,3-dihydro-1H-indole has a molecular weight of 259.44 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-nonyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).