2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile

C16H14N2O3 — CID 3154914

IUPAC2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
SMILESCCCC1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21
InChIInChI=1S/C16H14N2O3/c1-2-5-9-11(8-17)15(18)21-14-10-6-3-4-7-12(10)20-16(19)13(9)14/h3-4,6-7,9H,2,5,18H2,1H3
InChIKeyMFNMAMXSYIZSGS-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.76
Rot. Bonds2

About 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile

2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 3154914) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
PubChem CID3154914
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
SMILESCCCC1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21
InChIInChI=1S/C16H14N2O3/c1-2-5-9-11(8-17)15(18)21-14-10-6-3-4-7-12(10)20-16(19)13(9)14/h3-4,6-7,9H,2,5,18H2,1H3
InChIKeyMFNMAMXSYIZSGS-UHFFFAOYSA-N
XLogP2.76
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 3154914) is 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile is CCCC1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21.
What is the InChIKey of 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile?
The InChIKey is MFNMAMXSYIZSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-5-9-11(8-17)15(18)21-14-10-6-3-4-7-12(10)20-16(19)13(9)14/h3-4,6-7,9H,2,5,18H2,1H3.
What are the key properties of 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile?
2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-propyl-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 3154914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).