9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one

C13H14N2O2 — CID 13136926

IUPAC9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
SMILESCc1cc2oc(=O)c3c(c2cc1N)CCNC3
InChIInChI=1S/C13H14N2O2/c1-7-4-12-9(5-11(7)14)8-2-3-15-6-10(8)13(16)17-12/h4-5,15H,2-3,6,14H2,1H3
InChIKeyALMJILAVZBDQET-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.33
Rot. Bonds

About 9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one

9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one (PubChem CID 13136926) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
PubChem CID13136926
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
SMILESCc1cc2oc(=O)c3c(c2cc1N)CCNC3
InChIInChI=1S/C13H14N2O2/c1-7-4-12-9(5-11(7)14)8-2-3-15-6-10(8)13(16)17-12/h4-5,15H,2-3,6,14H2,1H3
InChIKeyALMJILAVZBDQET-UHFFFAOYSA-N
XLogP1.33
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one?
The IUPAC name of 9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one (CID 13136926) is 9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one is Cc1cc2oc(=O)c3c(c2cc1N)CCNC3.
What is the InChIKey of 9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one?
The InChIKey is ALMJILAVZBDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-4-12-9(5-11(7)14)8-2-3-15-6-10(8)13(16)17-12/h4-5,15H,2-3,6,14H2,1H3.
What are the key properties of 9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one?
9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-8-methyl-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 13136926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).