2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile

C15H13N3O — CID 82481204

IUPAC2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile
SMILESCc1[nH]c2ccccc2c1-c1c(C)oc(N)c1C#N
InChIInChI=1S/C15H13N3O/c1-8-13(10-5-3-4-6-12(10)18-8)14-9(2)19-15(17)11(14)7-16/h3-6,18H,17H2,1-2H3
InChIKeyCVKNAIQLLBLCNM-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.50
Rot. Bonds1

About 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile

2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile (PubChem CID 82481204) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile
PubChem CID82481204
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile
SMILESCc1[nH]c2ccccc2c1-c1c(C)oc(N)c1C#N
InChIInChI=1S/C15H13N3O/c1-8-13(10-5-3-4-6-12(10)18-8)14-9(2)19-15(17)11(14)7-16/h3-6,18H,17H2,1-2H3
InChIKeyCVKNAIQLLBLCNM-UHFFFAOYSA-N
XLogP3.50
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile (CID 82481204) is 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile is Cc1[nH]c2ccccc2c1-c1c(C)oc(N)c1C#N.
What is the InChIKey of 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile?
The InChIKey is CVKNAIQLLBLCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-8-13(10-5-3-4-6-12(10)18-8)14-9(2)19-15(17)11(14)7-16/h3-6,18H,17H2,1-2H3.
What are the key properties of 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile?
2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4-(2-methyl-1H-indol-3-yl)furan-3-carbonitrile is sourced from PubChem (CID 82481204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).