2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile

C16H15N3O — CID 115146413

IUPAC2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile
SMILESCc1ccc(CN(C)c2[nH]c3ccccc3c2C#N)o1
InChIInChI=1S/C16H15N3O/c1-11-7-8-12(20-11)10-19(2)16-14(9-17)13-5-3-4-6-15(13)18-16/h3-8,18H,10H2,1-2H3
InChIKeyLEAAUEGUQGHGJA-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.58
Rot. Bonds3

About 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile (PubChem CID 115146413) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile
PubChem CID115146413
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile
SMILESCc1ccc(CN(C)c2[nH]c3ccccc3c2C#N)o1
InChIInChI=1S/C16H15N3O/c1-11-7-8-12(20-11)10-19(2)16-14(9-17)13-5-3-4-6-15(13)18-16/h3-8,18H,10H2,1-2H3
InChIKeyLEAAUEGUQGHGJA-UHFFFAOYSA-N
XLogP3.58
TPSA55.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile?
The IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile (CID 115146413) is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile?
The canonical SMILES for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile is Cc1ccc(CN(C)c2[nH]c3ccccc3c2C#N)o1.
What is the InChIKey of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile?
The InChIKey is LEAAUEGUQGHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-7-8-12(20-11)10-19(2)16-14(9-17)13-5-3-4-6-15(13)18-16/h3-8,18H,10H2,1-2H3.
What are the key properties of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile?
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-3-carbonitrile is sourced from PubChem (CID 115146413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).