2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile

C19H12N2O2 — CID 5062571

IUPAC2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C19H12N2O2/c20-10-14-15(11-6-2-1-3-7-11)16-17(22)12-8-4-5-9-13(12)18(16)23-19(14)21/h1-9,15H,21H2
InChIKeyVMBHHRBMOGGJCL-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.10
Rot. Bonds1

About 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile

2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile (PubChem CID 5062571) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
PubChem CID5062571
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C19H12N2O2/c20-10-14-15(11-6-2-1-3-7-11)16-17(22)12-8-4-5-9-13(12)18(16)23-19(14)21/h1-9,15H,21H2
InChIKeyVMBHHRBMOGGJCL-UHFFFAOYSA-N
XLogP3.10
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-amino-4-(4-methylphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 92652790
(4S)-2-amino-4-(4-methylphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 28611929
(4S)-2-amino-4-(4-hydroxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 7353433
(4R)-2-amino-4-(4-hydroxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 7353432
2-amino-5,10-dioxo-4-(3-phenoxyphenyl)-4H-benzo[g]chromene-3-carbonitrile
CID 25249030
(4R)-2-amino-4-(4-methylsulfanylphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 92652799
2-amino-5,10-dioxo-4-[3-(trifluoromethyl)phenyl]-4H-benzo[g]chromene-3-carbonitrile
CID 2844714
(4R)-2-amino-5,10-dioxo-4-[3-(trifluoromethyl)phenyl]-4H-benzo[g]chromene-3-carbonitrile
CID 1069916
2-amino-4-(2-hydroxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 102301020
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
(4S)-2-amino-4-(2-chlorophenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 28611974
(4S)-2-amino-4-methyl-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 28611998

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile (CID 5062571) is 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)c3ccccc32)C1c1ccccc1.
What is the InChIKey of 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile?
The InChIKey is VMBHHRBMOGGJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c20-10-14-15(11-6-2-1-3-7-11)16-17(22)12-8-4-5-9-13(12)18(16)23-19(14)21/h1-9,15H,21H2.
What are the key properties of 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile?
2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile is sourced from PubChem (CID 5062571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).