2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile

C15H12N2O5 — CID 654659

IUPAC2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)o1
InChIInChI=1S/C15H12N2O5/c1-7-2-3-11(20-7)12-9(5-16)15(17)22-13-10(19)4-8(6-18)21-14(12)13/h2-4,12,18H,6,17H2,1H3
InChIKeyVACMFRKPXRQLDK-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.25
Rot. Bonds2

About 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile

2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile (PubChem CID 654659) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile
PubChem CID654659
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)o1
InChIInChI=1S/C15H12N2O5/c1-7-2-3-11(20-7)12-9(5-16)15(17)22-13-10(19)4-8(6-18)21-14(12)13/h2-4,12,18H,6,17H2,1H3
InChIKeyVACMFRKPXRQLDK-UHFFFAOYSA-N
XLogP1.25
TPSA122.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-Acetyl-2-amino-4-(2-furanyl)-6-methyl-4H-pyran-3-carbonitrile
CID 540386
2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
CID 3156318
2-amino-4-(furan-2-yl)-6-hydroxy-5,8-dioxo-7-undecyl-4H-chromene-3-carbonitrile
CID 145982009
ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(5-methylfuran-2-yl)-4H-pyran-3-carboxylate
CID 3241774
(4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 682984
2-amino-4-(5-methylfuran-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2840439
2-Amino-4-(2-furanyl)-5,6,7,8-tetrahydro-5-oxo-4H-1-benzopyran-3-carbonitrile
CID 2839096
Cambridge id 5285837
CID 2839567
2-Amino-4-(furan-2-yl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
CID 16443828
ethyl 5-(2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl)furan-2-car boxylate
CID 3915358
2-Amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile;ethanol
CID 90481431
5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile
CID 3262461

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile?
The IUPAC name of 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile (CID 654659) is 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile?
The canonical SMILES for 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile is Cc1ccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)o1.
What is the InChIKey of 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile?
The InChIKey is VACMFRKPXRQLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-7-2-3-11(20-7)12-9(5-16)15(17)22-13-10(19)4-8(6-18)21-14(12)13/h2-4,12,18H,6,17H2,1H3.
What are the key properties of 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile?
2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile has a molecular weight of 300.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(hydroxymethyl)-4-(5-methylfuran-2-yl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile is sourced from PubChem (CID 654659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).