2-amino-5-methylfuran-3-carbonitrile

C6H6N2O — CID 11137157

IUPAC2-amino-5-methylfuran-3-carbonitrile
SMILESCc1cc(C#N)c(N)o1
InChIInChI=1S/C6H6N2O/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3
InChIKeyHLRRGGBLXZIFON-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.04
Rot. Bonds

About 2-amino-5-methylfuran-3-carbonitrile

2-amino-5-methylfuran-3-carbonitrile (PubChem CID 11137157) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 2-amino-5-methylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methylfuran-3-carbonitrile
PubChem CID11137157
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name2-amino-5-methylfuran-3-carbonitrile
SMILESCc1cc(C#N)c(N)o1
InChIInChI=1S/C6H6N2O/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3
InChIKeyHLRRGGBLXZIFON-UHFFFAOYSA-N
XLogP1.04
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,5-dimethyl-3-furancarbonitrile
CID 290220
2-Amino-5-phenylfuran-3-carbonitrile
CID 693961
2-[3-(5-Amino-4-cyano-2-furyl)-2-butenylidene]malononitrile
CID 5452265
[(2E)-3-(5-amino-4-cyano-2-furyl)prop-2-enylidene]malononitrile
CID 826672
2-Amino-5-phenyl-3,4-furandicarbonitrile
CID 13025873
2-Vinyl 5-amino furan
CID 89260072
2-Amino-5-(4-fluorophenyl)furan-3-carbonitrile
CID 4357504
3-Methyl-5-(trifluoromethyl)furan-2-amine
CID 172772303
2-Amino-3-cyano-5-methyl-4-(2,2,2-trichloroethyl)furane
CID 15149612
2-Amino-5-(4-methylphenyl)-3-furancarbonitrile
CID 29929289
2-Amino-5-(4-cyanophenyl)furan-3-carbonitrile
CID 83447922
2-Amino-5-(2-fluorophenyl)furan-3-carbonitrile
CID 83447791

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylfuran-3-carbonitrile?
The IUPAC name of 2-amino-5-methylfuran-3-carbonitrile (CID 11137157) is 2-amino-5-methylfuran-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methylfuran-3-carbonitrile?
The canonical SMILES for 2-amino-5-methylfuran-3-carbonitrile is Cc1cc(C#N)c(N)o1.
What is the InChIKey of 2-amino-5-methylfuran-3-carbonitrile?
The InChIKey is HLRRGGBLXZIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3.
What are the key properties of 2-amino-5-methylfuran-3-carbonitrile?
2-amino-5-methylfuran-3-carbonitrile has a molecular weight of 122.13 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylfuran-3-carbonitrile is sourced from PubChem (CID 11137157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).