5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione

C12H10N2O3 — CID 642648

IUPAC5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/C=C/c2cccc(O)c2)c(=O)[nH]1
InChIInChI=1S/C12H10N2O3/c15-10-3-1-2-8(6-10)4-5-9-7-13-12(17)14-11(9)16/h1-7,15H,(H2,13,14,16,17)/b5-4+
InChIKeySPGJWTYYMVNBAB-SNAWJCMRSA-N
MW230.22 g/mol
LogP0.94
Rot. Bonds2

About 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione

5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione (PubChem CID 642648) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione
PubChem CID642648
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/C=C/c2cccc(O)c2)c(=O)[nH]1
InChIInChI=1S/C12H10N2O3/c15-10-3-1-2-8(6-10)4-5-9-7-13-12(17)14-11(9)16/h1-7,15H,(H2,13,14,16,17)/b5-4+
InChIKeySPGJWTYYMVNBAB-SNAWJCMRSA-N
XLogP0.94
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione (CID 642648) is 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(/C=C/c2cccc(O)c2)c(=O)[nH]1.
What is the InChIKey of 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is SPGJWTYYMVNBAB-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-10-3-1-2-8(6-10)4-5-9-7-13-12(17)14-11(9)16/h1-7,15H,(H2,13,14,16,17)/b5-4+.
What are the key properties of 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione?
5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 642648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).