4-(3-hydroxyphenyl)-1,3-diazinan-2-one

C10H12N2O2 — CID 105445856

IUPAC4-(3-hydroxyphenyl)-1,3-diazinan-2-one
SMILESO=C1NCCC(c2cccc(O)c2)N1
InChIInChI=1S/C10H12N2O2/c13-8-3-1-2-7(6-8)9-4-5-11-10(14)12-9/h1-3,6,9,13H,4-5H2,(H2,11,12,14)
InChIKeyZBNGGOGTYOQAEV-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.14
Rot. Bonds1

About 4-(3-hydroxyphenyl)-1,3-diazinan-2-one

4-(3-hydroxyphenyl)-1,3-diazinan-2-one (PubChem CID 105445856) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-1,3-diazinan-2-one
PubChem CID105445856
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-(3-hydroxyphenyl)-1,3-diazinan-2-one
SMILESO=C1NCCC(c2cccc(O)c2)N1
InChIInChI=1S/C10H12N2O2/c13-8-3-1-2-7(6-8)9-4-5-11-10(14)12-9/h1-3,6,9,13H,4-5H2,(H2,11,12,14)
InChIKeyZBNGGOGTYOQAEV-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(3-hydroxyphenyl)imidazolidin-2-one
CID 131198796
3-[(4R)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl]phenol
CID 40637861
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(3R)-3-(3-hydroxyphenyl)piperazine-2,5-dione
CID 129499079
(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
4-(3-hydroxyphenyl)pyrrolidin-2-one
CID 23345041
methyl 4-(2-oxo-1,3-diazinan-4-yl)benzoate
CID 138974808
3-pyrrolidin-3-ylphenol
CID 12937992
(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 131078848
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-1,3-diazinan-2-one?
The IUPAC name of 4-(3-hydroxyphenyl)-1,3-diazinan-2-one (CID 105445856) is 4-(3-hydroxyphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 4-(3-hydroxyphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 4-(3-hydroxyphenyl)-1,3-diazinan-2-one is O=C1NCCC(c2cccc(O)c2)N1.
What is the InChIKey of 4-(3-hydroxyphenyl)-1,3-diazinan-2-one?
The InChIKey is ZBNGGOGTYOQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-8-3-1-2-7(6-8)9-4-5-11-10(14)12-9/h1-3,6,9,13H,4-5H2,(H2,11,12,14).
What are the key properties of 4-(3-hydroxyphenyl)-1,3-diazinan-2-one?
4-(3-hydroxyphenyl)-1,3-diazinan-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 105445856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).