1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione

C9H10N2O3 — CID 22855921

IUPAC1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1CC[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O3/c1-6-2-3-8(14-6)11-5-4-7(12)10-9(11)13/h4-5,8H,1-3H2,(H,10,12,13)/t8-/m1/s1
InChIKeyMIOGWNMZXKUCDB-MRVPVSSYSA-N
MW194.19 g/mol
LogP0.36
Rot. Bonds1

About 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 22855921) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID22855921
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1CC[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O3/c1-6-2-3-8(14-6)11-5-4-7(12)10-9(11)13/h4-5,8H,1-3H2,(H,10,12,13)/t8-/m1/s1
InChIKeyMIOGWNMZXKUCDB-MRVPVSSYSA-N
XLogP0.36
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 25189339
1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 19775087
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762
1-[(2R)-3-methyl-5-methylidene-2H-furan-2-yl]pyrimidine-2,4-dione
CID 135024421
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(5R)-5-cyclopropyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 154937522
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144767264
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 54125745

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione (CID 22855921) is 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione is C=C1CC[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is MIOGWNMZXKUCDB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6-2-3-8(14-6)11-5-4-7(12)10-9(11)13/h4-5,8H,1-3H2,(H,10,12,13)/t8-/m1/s1.
What are the key properties of 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 194.19 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 22855921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).