3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione

C9H10N2O4 — CID 67610957

IUPAC3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione
SMILESC=C1CCOC1=O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H6O2.C4H4N2O2/c1-4-2-3-7-5(4)6;7-3-1-2-5-4(8)6-3/h1-3H2;1-2H,(H2,5,6,7,8)
InChIKeyLDLXEKLYTOJCCW-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.45
Rot. Bonds

About 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione

3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione (PubChem CID 67610957) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione
PubChem CID67610957
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione
SMILESC=C1CCOC1=O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H6O2.C4H4N2O2/c1-4-2-3-7-5(4)6;7-3-1-2-5-4(8)6-3/h1-3H2;1-2H,(H2,5,6,7,8)
InChIKeyLDLXEKLYTOJCCW-UHFFFAOYSA-N
XLogP-0.45
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 23196634
CID 23196634
CID 122466898
CID 122466898
CID 122466899
CID 122466899

Frequently Asked Questions

What is the IUPAC name of 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione (CID 67610957) is 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione is C=C1CCOC1=O.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione?
The InChIKey is LDLXEKLYTOJCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.C4H4N2O2/c1-4-2-3-7-5(4)6;7-3-1-2-5-4(8)6-3/h1-3H2;1-2H,(H2,5,6,7,8).
What are the key properties of 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione?
3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneoxolan-2-one;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67610957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).