1-dodecylindole

C20H31N — CID 10968089

IUPAC1-dodecylindole
SMILESCCCCCCCCCCCCn1ccc2ccccc21
InChIInChI=1S/C20H31N/c1-2-3-4-5-6-7-8-9-10-13-17-21-18-16-19-14-11-12-15-20(19)21/h11-12,14-16,18H,2-10,13,17H2,1H3
InChIKeySHOVGCMSECPWIN-UHFFFAOYSA-N
MW285.47 g/mol
LogP6.56
Rot. Bonds11

About 1-dodecylindole

1-dodecylindole (PubChem CID 10968089) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-dodecylindole.

Molecular Properties

Compound Name1-dodecylindole
PubChem CID10968089
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name1-dodecylindole
SMILESCCCCCCCCCCCCn1ccc2ccccc21
InChIInChI=1S/C20H31N/c1-2-3-4-5-6-7-8-9-10-13-17-21-18-16-19-14-11-12-15-20(19)21/h11-12,14-16,18H,2-10,13,17H2,1H3
InChIKeySHOVGCMSECPWIN-UHFFFAOYSA-N
XLogP6.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 56.56
H-Bond Donors ≤ 50
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 1-dodecylindole?
The IUPAC name of 1-dodecylindole (CID 10968089) is 1-dodecylindole.
What is the SMILES notation for 1-dodecylindole?
The canonical SMILES for 1-dodecylindole is CCCCCCCCCCCCn1ccc2ccccc21.
What is the InChIKey of 1-dodecylindole?
The InChIKey is SHOVGCMSECPWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-3-4-5-6-7-8-9-10-13-17-21-18-16-19-14-11-12-15-20(19)21/h11-12,14-16,18H,2-10,13,17H2,1H3.
What are the key properties of 1-dodecylindole?
1-dodecylindole has a molecular weight of 285.47 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylindole is sourced from PubChem (CID 10968089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).