oxolane;1H-pyrimidin-2-one

C8H12N2O2 — CID 174461549

IUPACoxolane;1H-pyrimidin-2-one
SMILESC1CCOC1.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.C4H8O/c7-4-5-2-1-3-6-4;1-2-4-5-3-1/h1-3H,(H,5,6,7);1-4H2
InChIKeyOXPJSGNMICLINQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.57
Rot. Bonds

About oxolane;1H-pyrimidin-2-one

oxolane;1H-pyrimidin-2-one (PubChem CID 174461549) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is oxolane;1H-pyrimidin-2-one.

Molecular Properties

Compound Nameoxolane;1H-pyrimidin-2-one
PubChem CID174461549
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameoxolane;1H-pyrimidin-2-one
SMILESC1CCOC1.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.C4H8O/c7-4-5-2-1-3-6-4;1-2-4-5-3-1/h1-3H,(H,5,6,7);1-4H2
InChIKeyOXPJSGNMICLINQ-UHFFFAOYSA-N
XLogP0.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexane;1H-pyrimidin-2-one
CID 155579057
1H-pyrimidin-2-one;hydrofluoride
CID 157323354
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CID 158350517
methanesulfonic acid;1H-pyrimidin-2-one
CID 174444847
1H-pyrimidin-2-one;toluene
CID 174931017
6-amino-1H-pyrimidin-2-one;oxolane
CID 145083390
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CID 70416844
1-cyclohexyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea;1H-pyrimidin-2-one
CID 145268895
1H-benzimidazole;oxolane
CID 157372147
benzene;oxane
CID 19832785
potassium;oxolane;chloride
CID 172775663
hafnium(4+);oxolane;tetrachloride
CID 170853146

Frequently Asked Questions

What is the IUPAC name of oxolane;1H-pyrimidin-2-one?
The IUPAC name of oxolane;1H-pyrimidin-2-one (CID 174461549) is oxolane;1H-pyrimidin-2-one.
What is the SMILES notation for oxolane;1H-pyrimidin-2-one?
The canonical SMILES for oxolane;1H-pyrimidin-2-one is C1CCOC1.O=c1nccc[nH]1.
What is the InChIKey of oxolane;1H-pyrimidin-2-one?
The InChIKey is OXPJSGNMICLINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C4H8O/c7-4-5-2-1-3-6-4;1-2-4-5-3-1/h1-3H,(H,5,6,7);1-4H2.
What are the key properties of oxolane;1H-pyrimidin-2-one?
oxolane;1H-pyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;1H-pyrimidin-2-one is sourced from PubChem (CID 174461549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).