2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile

C14H11N3O — CID 82476649

IUPAC2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile
SMILESCn1cc(-c2coc(N)c2C#N)c2ccccc21
InChIInChI=1S/C14H11N3O/c1-17-7-11(9-4-2-3-5-13(9)17)12-8-18-14(16)10(12)6-15/h2-5,7-8H,16H2,1H3
InChIKeyAHVVYGVRJLZFIZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.89
Rot. Bonds1

About 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile

2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile (PubChem CID 82476649) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile
PubChem CID82476649
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile
SMILESCn1cc(-c2coc(N)c2C#N)c2ccccc21
InChIInChI=1S/C14H11N3O/c1-17-7-11(9-4-2-3-5-13(9)17)12-8-18-14(16)10(12)6-15/h2-5,7-8H,16H2,1H3
InChIKeyAHVVYGVRJLZFIZ-UHFFFAOYSA-N
XLogP2.89
TPSA67.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-methyl-4-(1-methylindol-3-yl)thiophen-2-amine
CID 82477886
2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile
CID 82468114
2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile
CID 139214302
2-(1-methylindol-3-yl)pyridine-3-carbonitrile
CID 11218536
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
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2-amino-4-thiophen-2-ylfuran-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile?
The IUPAC name of 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile (CID 82476649) is 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile is Cn1cc(-c2coc(N)c2C#N)c2ccccc21.
What is the InChIKey of 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile?
The InChIKey is AHVVYGVRJLZFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-17-7-11(9-4-2-3-5-13(9)17)12-8-18-14(16)10(12)6-15/h2-5,7-8H,16H2,1H3.
What are the key properties of 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile?
2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile has a molecular weight of 237.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile is sourced from PubChem (CID 82476649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).