4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one

C13H15NO3 — CID 153149991

IUPAC4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one
SMILESCOC1=CCCC(Cn2ccc(O)cc2=O)=C1
InChIInChI=1S/C13H15NO3/c1-17-12-4-2-3-10(7-12)9-14-6-5-11(15)8-13(14)16/h4-8,15H,2-3,9H2,1H3
InChIKeyWAHAHUZEKZMEEW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.80
Rot. Bonds3

About 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one

4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one (PubChem CID 153149991) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one
PubChem CID153149991
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one
SMILESCOC1=CCCC(Cn2ccc(O)cc2=O)=C1
InChIInChI=1S/C13H15NO3/c1-17-12-4-2-3-10(7-12)9-14-6-5-11(15)8-13(14)16/h4-8,15H,2-3,9H2,1H3
InChIKeyWAHAHUZEKZMEEW-UHFFFAOYSA-N
XLogP1.80
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one (CID 153149991) is 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one is COC1=CCCC(Cn2ccc(O)cc2=O)=C1.
What is the InChIKey of 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one?
The InChIKey is WAHAHUZEKZMEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-12-4-2-3-10(7-12)9-14-6-5-11(15)8-13(14)16/h4-8,15H,2-3,9H2,1H3.
What are the key properties of 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one?
4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 153149991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).