9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C16H18N2O3 — CID 13136941

IUPAC9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCC(=O)CN1CCc2c(c(=O)oc3cc(C)c(N)cc23)C1
InChIInChI=1S/C16H18N2O3/c1-9-5-15-12(6-14(9)17)11-3-4-18(7-10(2)19)8-13(11)16(20)21-15/h5-6H,3-4,7-8,17H2,1-2H3
InChIKeyNMFLOSGSXKDDKE-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.63
Rot. Bonds2

About 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 13136941) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID13136941
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCC(=O)CN1CCc2c(c(=O)oc3cc(C)c(N)cc23)C1
InChIInChI=1S/C16H18N2O3/c1-9-5-15-12(6-14(9)17)11-3-4-18(7-10(2)19)8-13(11)16(20)21-15/h5-6H,3-4,7-8,17H2,1-2H3
InChIKeyNMFLOSGSXKDDKE-UHFFFAOYSA-N
XLogP1.63
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 13136941) is 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is CC(=O)CN1CCc2c(c(=O)oc3cc(C)c(N)cc23)C1.
What is the InChIKey of 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is NMFLOSGSXKDDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-5-15-12(6-14(9)17)11-3-4-18(7-10(2)19)8-13(11)16(20)21-15/h5-6H,3-4,7-8,17H2,1-2H3.
What are the key properties of 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 286.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-8-methyl-3-(2-oxopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 13136941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).