2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one

C17H17NO2 — CID 162660577

IUPAC2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one
SMILESCc1ccc(-c2c[nH]c(=O)c3c2OC(C)(C)C=C3)cc1
InChIInChI=1S/C17H17NO2/c1-11-4-6-12(7-5-11)14-10-18-16(19)13-8-9-17(2,3)20-15(13)14/h4-10H,1-3H3,(H,18,19)
InChIKeyCCFGRNISVPYQCF-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.53
Rot. Bonds1

About 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one

2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one (PubChem CID 162660577) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one.

Molecular Properties

Compound Name2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one
PubChem CID162660577
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one
SMILESCc1ccc(-c2c[nH]c(=O)c3c2OC(C)(C)C=C3)cc1
InChIInChI=1S/C17H17NO2/c1-11-4-6-12(7-5-11)14-10-18-16(19)13-8-9-17(2,3)20-15(13)14/h4-10H,1-3H3,(H,18,19)
InChIKeyCCFGRNISVPYQCF-UHFFFAOYSA-N
XLogP3.53
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
CID 162650170
7-chloro-2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one
CID 162652140
2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
CID 162658070
7-chloro-2-methyl-2-(3-methylbut-2-enyl)-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one
CID 162661389
(+)-tersone D
CID 146683003
(-)-tersone D
CID 146683004
ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate
CID 90667382
4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one
CID 135252442
(3-butyl-2-oxo-5-phenyl-1H-pyridin-4-yl) acetate
CID 11716162
2-methyl-2-phenyl-6H-pyrano[3,2-c]pyridin-5-one
CID 135069095
2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-2,6-dihydropyrano[3,2-c]pyridin-5-one
CID 162404246
3-methyl-4-phenylmethoxy-1H-pyridin-2-one
CID 22049916

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one?
The IUPAC name of 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one (CID 162660577) is 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one.
What is the SMILES notation for 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one?
The canonical SMILES for 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one is Cc1ccc(-c2c[nH]c(=O)c3c2OC(C)(C)C=C3)cc1.
What is the InChIKey of 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one?
The InChIKey is CCFGRNISVPYQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-4-6-12(7-5-11)14-10-18-16(19)13-8-9-17(2,3)20-15(13)14/h4-10H,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one?
2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one has a molecular weight of 267.33 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-8-(4-methylphenyl)-6H-pyrano[3,2-c]pyridin-5-one is sourced from PubChem (CID 162660577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).