7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one

C10H13NO2 — CID 165117481

IUPAC7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one
SMILESCC1(C)Cc2[nH]c(=O)ccc2CO1
InChIInChI=1S/C10H13NO2/c1-10(2)5-8-7(6-13-10)3-4-9(12)11-8/h3-4H,5-6H2,1-2H3,(H,11,12)
InChIKeyNMSYWGKBGFPLHH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.23
Rot. Bonds

About 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one

7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one (PubChem CID 165117481) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one.

Molecular Properties

Compound Name7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one
PubChem CID165117481
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one
SMILESCC1(C)Cc2[nH]c(=O)ccc2CO1
InChIInChI=1S/C10H13NO2/c1-10(2)5-8-7(6-13-10)3-4-9(12)11-8/h3-4H,5-6H2,1-2H3,(H,11,12)
InChIKeyNMSYWGKBGFPLHH-UHFFFAOYSA-N
XLogP1.23
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one?
The IUPAC name of 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one (CID 165117481) is 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one.
What is the SMILES notation for 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one?
The canonical SMILES for 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one is CC1(C)Cc2[nH]c(=O)ccc2CO1.
What is the InChIKey of 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one?
The InChIKey is NMSYWGKBGFPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2)5-8-7(6-13-10)3-4-9(12)11-8/h3-4H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one?
7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5,8-dihydro-1H-pyrano[4,3-b]pyridin-2-one is sourced from PubChem (CID 165117481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).