1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione

C9H11N3O4 — CID 144767264

IUPAC1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=NCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H11N3O4/c13-7-3-4-12(9(14)11-7)8-2-1-6(16-8)5-10-15/h3-4,6,8H,1-2,5H2,(H,11,13,14)
InChIKeyYGTNBBKLFFWBEV-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.02
Rot. Bonds3

About 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 144767264) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID144767264
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=NCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H11N3O4/c13-7-3-4-12(9(14)11-7)8-2-1-6(16-8)5-10-15/h3-4,6,8H,1-2,5H2,(H,11,13,14)
InChIKeyYGTNBBKLFFWBEV-UHFFFAOYSA-N
XLogP-0.02
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170586971
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
CID 142117937
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
CID 172580649
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762

Frequently Asked Questions

What is the IUPAC name of 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 144767264) is 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=NCC1CCC(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is YGTNBBKLFFWBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-7-3-4-12(9(14)11-7)8-2-1-6(16-8)5-10-15/h3-4,6,8H,1-2,5H2,(H,11,13,14).
What are the key properties of 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 225.20 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 144767264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).