1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one

C17H17NO3 — CID 154246010

IUPAC1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one
SMILESCC1(C)C=C(n2ccc(CO)cc2=O)c2ccccc2O1
InChIInChI=1S/C17H17NO3/c1-17(2)10-14(13-5-3-4-6-15(13)21-17)18-8-7-12(11-19)9-16(18)20/h3-10,19H,11H2,1-2H3
InChIKeyYOJCJKPQMAJUBR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.40
Rot. Bonds2

About 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one

1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one (PubChem CID 154246010) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one
PubChem CID154246010
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one
SMILESCC1(C)C=C(n2ccc(CO)cc2=O)c2ccccc2O1
InChIInChI=1S/C17H17NO3/c1-17(2)10-14(13-5-3-4-6-15(13)21-17)18-8-7-12(11-19)9-16(18)20/h3-10,19H,11H2,1-2H3
InChIKeyYOJCJKPQMAJUBR-UHFFFAOYSA-N
XLogP2.40
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one (CID 154246010) is 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one is CC1(C)C=C(n2ccc(CO)cc2=O)c2ccccc2O1.
What is the InChIKey of 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one?
The InChIKey is YOJCJKPQMAJUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(2)10-14(13-5-3-4-6-15(13)21-17)18-8-7-12(11-19)9-16(18)20/h3-10,19H,11H2,1-2H3.
What are the key properties of 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one?
1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylchromen-4-yl)-4-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 154246010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).