1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile

C15H18N2O2 — CID 107919185

IUPAC1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile
SMILESCOCCOCCCn1ccc2c(C#N)cccc21
InChIInChI=1S/C15H18N2O2/c1-18-10-11-19-9-3-7-17-8-6-14-13(12-16)4-2-5-15(14)17/h2,4-6,8H,3,7,9-11H2,1H3
InChIKeyPPNOXZDXWOTKHT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.57
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile

1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile (PubChem CID 107919185) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile
PubChem CID107919185
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile
SMILESCOCCOCCCn1ccc2c(C#N)cccc21
InChIInChI=1S/C15H18N2O2/c1-18-10-11-19-9-3-7-17-8-6-14-13(12-16)4-2-5-15(14)17/h2,4-6,8H,3,7,9-11H2,1H3
InChIKeyPPNOXZDXWOTKHT-UHFFFAOYSA-N
XLogP2.57
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile (CID 107919185) is 1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile is COCCOCCCn1ccc2c(C#N)cccc21.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile?
The InChIKey is PPNOXZDXWOTKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-10-11-19-9-3-7-17-8-6-14-13(12-16)4-2-5-15(14)17/h2,4-6,8H,3,7,9-11H2,1H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile?
1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile is sourced from PubChem (CID 107919185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).