prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate

C19H17NO4 — CID 7747305

IUPACprop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESC=CCOC(=O)c1cc2c(=O)c3cc(C)cc(C)c3oc2nc1C
InChIInChI=1S/C19H17NO4/c1-5-6-23-19(22)13-9-15-16(21)14-8-10(2)7-11(3)17(14)24-18(15)20-12(13)4/h5,7-9H,1,6H2,2-4H3
InChIKeyGKSFBVPUYBYTQL-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.61
Rot. Bonds3

About prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate

prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 7747305) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
PubChem CID7747305
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameprop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESC=CCOC(=O)c1cc2c(=O)c3cc(C)cc(C)c3oc2nc1C
InChIInChI=1S/C19H17NO4/c1-5-6-23-19(22)13-9-15-16(21)14-8-10(2)7-11(3)17(14)24-18(15)20-12(13)4/h5,7-9H,1,6H2,2-4H3
InChIKeyGKSFBVPUYBYTQL-UHFFFAOYSA-N
XLogP3.61
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (CID 7747305) is prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is C=CCOC(=O)c1cc2c(=O)c3cc(C)cc(C)c3oc2nc1C.
What is the InChIKey of prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is GKSFBVPUYBYTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-5-6-23-19(22)13-9-15-16(21)14-8-10(2)7-11(3)17(14)24-18(15)20-12(13)4/h5,7-9H,1,6H2,2-4H3.
What are the key properties of prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,7,9-trimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 7747305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).