3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one

C16H17NO2 — CID 23177573

IUPAC3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one
SMILESCC1(C)CC(c2ccc[nH]c2=O)c2ccccc2O1
InChIInChI=1S/C16H17NO2/c1-16(2)10-13(12-7-5-9-17-15(12)18)11-6-3-4-8-14(11)19-16/h3-9,13H,10H2,1-2H3,(H,17,18)
InChIKeyVYOOCBGAOQUNHE-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.07
Rot. Bonds1

About 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one

3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one (PubChem CID 23177573) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one
PubChem CID23177573
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one
SMILESCC1(C)CC(c2ccc[nH]c2=O)c2ccccc2O1
InChIInChI=1S/C16H17NO2/c1-16(2)10-13(12-7-5-9-17-15(12)18)11-6-3-4-8-14(11)19-16/h3-9,13H,10H2,1-2H3,(H,17,18)
InChIKeyVYOOCBGAOQUNHE-UHFFFAOYSA-N
XLogP3.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one (CID 23177573) is 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one is CC1(C)CC(c2ccc[nH]c2=O)c2ccccc2O1.
What is the InChIKey of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one?
The InChIKey is VYOOCBGAOQUNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(2)10-13(12-7-5-9-17-15(12)18)11-6-3-4-8-14(11)19-16/h3-9,13H,10H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one?
3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one has a molecular weight of 255.32 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 23177573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).