10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C16H19NO3 — CID 5440108

IUPAC10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3
InChIInChI=1S/C16H19NO3/c1-3-4-10-7-13(18)15-11-5-6-17(2)9-12(11)16(19)20-14(15)8-10/h7-8,18H,3-6,9H2,1-2H3
InChIKeyJYZGRMRMVUUYHG-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.44
Rot. Bonds2

About 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 5440108) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID5440108
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3
InChIInChI=1S/C16H19NO3/c1-3-4-10-7-13(18)15-11-5-6-17(2)9-12(11)16(19)20-14(15)8-10/h7-8,18H,3-6,9H2,1-2H3
InChIKeyJYZGRMRMVUUYHG-UHFFFAOYSA-N
XLogP2.44
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 5440108) is 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is CCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3.
What is the InChIKey of 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is JYZGRMRMVUUYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-4-10-7-13(18)15-11-5-6-17(2)9-12(11)16(19)20-14(15)8-10/h7-8,18H,3-6,9H2,1-2H3.
What are the key properties of 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 273.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-3-methyl-8-propyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 5440108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).