3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile

C17H14N4O2 — CID 110875307

IUPAC3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile
SMILESCC1=C(C)C2(C#N)C(=O)N=C(N)C2(C#N)C(c2ccccc2)O1
InChIInChI=1S/C17H14N4O2/c1-10-11(2)23-13(12-6-4-3-5-7-12)17(9-19)14(20)21-15(22)16(10,17)8-18/h3-7,13H,1-2H3,(H2,20,21,22)
InChIKeyTUCAPZCZYZQFTN-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.97
Rot. Bonds1

About 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile

3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile (PubChem CID 110875307) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile.

Molecular Properties

Compound Name3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile
PubChem CID110875307
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile
SMILESCC1=C(C)C2(C#N)C(=O)N=C(N)C2(C#N)C(c2ccccc2)O1
InChIInChI=1S/C17H14N4O2/c1-10-11(2)23-13(12-6-4-3-5-7-12)17(9-19)14(20)21-15(22)16(10,17)8-18/h3-7,13H,1-2H3,(H2,20,21,22)
InChIKeyTUCAPZCZYZQFTN-UHFFFAOYSA-N
XLogP1.97
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile?
The IUPAC name of 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile (CID 110875307) is 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile.
What is the SMILES notation for 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile?
The canonical SMILES for 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile is CC1=C(C)C2(C#N)C(=O)N=C(N)C2(C#N)C(c2ccccc2)O1.
What is the InChIKey of 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile?
The InChIKey is TUCAPZCZYZQFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-11(2)23-13(12-6-4-3-5-7-12)17(9-19)14(20)21-15(22)16(10,17)8-18/h3-7,13H,1-2H3,(H2,20,21,22).
What are the key properties of 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile?
3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile has a molecular weight of 306.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7-dimethyl-1-oxo-4-phenyl-4H-pyrano[3,4-c]pyrrole-3a,7a-dicarbonitrile is sourced from PubChem (CID 110875307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).