5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

C16H14N2O3 — CID 71299363

IUPAC5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESC#CCN1C(=O)CC2C(=C(N)Oc3cc(C)ccc32)C1=O
InChIInChI=1S/C16H14N2O3/c1-3-6-18-13(19)8-11-10-5-4-9(2)7-12(10)21-15(17)14(11)16(18)20/h1,4-5,7,11H,6,8,17H2,2H3
InChIKeyWBMNLMYJBZFNDQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.03
Rot. Bonds1

About 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299363) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299363
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESC#CCN1C(=O)CC2C(=C(N)Oc3cc(C)ccc32)C1=O
InChIInChI=1S/C16H14N2O3/c1-3-6-18-13(19)8-11-10-5-4-9(2)7-12(10)21-15(17)14(11)16(18)20/h1,4-5,7,11H,6,8,17H2,2H3
InChIKeyWBMNLMYJBZFNDQ-UHFFFAOYSA-N
XLogP1.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299363) is 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is C#CCN1C(=O)CC2C(=C(N)Oc3cc(C)ccc32)C1=O.
What is the InChIKey of 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is WBMNLMYJBZFNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-3-6-18-13(19)8-11-10-5-4-9(2)7-12(10)21-15(17)14(11)16(18)20/h1,4-5,7,11H,6,8,17H2,2H3.
What are the key properties of 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methyl-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).