2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile

C15H17N3O — CID 115146398

IUPAC2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile
SMILESN#Cc1c(NCC2CCOCC2)[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c16-9-13-12-3-1-2-4-14(12)18-15(13)17-10-11-5-7-19-8-6-11/h1-4,11,17-18H,5-8,10H2
InChIKeyGGZRVWNNSNZIJP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.88
Rot. Bonds3

About 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile

2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile (PubChem CID 115146398) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile
PubChem CID115146398
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile
SMILESN#Cc1c(NCC2CCOCC2)[nH]c2ccccc12
InChIInChI=1S/C15H17N3O/c16-9-13-12-3-1-2-4-14(12)18-15(13)17-10-11-5-7-19-8-6-11/h1-4,11,17-18H,5-8,10H2
InChIKeyGGZRVWNNSNZIJP-UHFFFAOYSA-N
XLogP2.88
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile?
The IUPAC name of 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile (CID 115146398) is 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile?
The canonical SMILES for 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile is N#Cc1c(NCC2CCOCC2)[nH]c2ccccc12.
What is the InChIKey of 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile?
The InChIKey is GGZRVWNNSNZIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-9-13-12-3-1-2-4-14(12)18-15(13)17-10-11-5-7-19-8-6-11/h1-4,11,17-18H,5-8,10H2.
What are the key properties of 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile?
2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile is sourced from PubChem (CID 115146398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).