5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one

C9H12N2O2 — CID 119054198

IUPAC5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one
SMILESNCc1c2c(c[nH]c1=O)COCC2
InChIInChI=1S/C9H12N2O2/c10-3-8-7-1-2-13-5-6(7)4-11-9(8)12/h4H,1-3,5,10H2,(H,11,12)
InChIKeyCORSDWDVOCTEMI-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.09
Rot. Bonds1

About 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one

5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one (PubChem CID 119054198) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one
PubChem CID119054198
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one
SMILESNCc1c2c(c[nH]c1=O)COCC2
InChIInChI=1S/C9H12N2O2/c10-3-8-7-1-2-13-5-6(7)4-11-9(8)12/h4H,1-3,5,10H2,(H,11,12)
InChIKeyCORSDWDVOCTEMI-UHFFFAOYSA-N
XLogP-0.09
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one?
The IUPAC name of 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one (CID 119054198) is 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one.
What is the SMILES notation for 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one?
The canonical SMILES for 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one is NCc1c2c(c[nH]c1=O)COCC2.
What is the InChIKey of 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one?
The InChIKey is CORSDWDVOCTEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-3-8-7-1-2-13-5-6(7)4-11-9(8)12/h4H,1-3,5,10H2,(H,11,12).
What are the key properties of 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one?
5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one has a molecular weight of 180.21 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-one is sourced from PubChem (CID 119054198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).