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

C9H11N3O4 — CID 144981917

IUPAC5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=NCC1CCC(c2c[nH]c(=O)[nH]c2=O)O1
InChIInChI=1S/C9H11N3O4/c13-8-6(4-10-9(14)12-8)7-2-1-5(16-7)3-11-15/h4-5,7H,1-3H2,(H2,10,12,13,14)
InChIKeyNPVUAXVCVOGEEJ-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.05
Rot. Bonds3

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

5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 144981917) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID144981917
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=NCC1CCC(c2c[nH]c(=O)[nH]c2=O)O1
InChIInChI=1S/C9H11N3O4/c13-8-6(4-10-9(14)12-8)7-2-1-5(16-7)3-11-15/h4-5,7H,1-3H2,(H2,10,12,13,14)
InChIKeyNPVUAXVCVOGEEJ-UHFFFAOYSA-N
XLogP0.05
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 144981917) is 5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione is O=NCC1CCC(c2c[nH]c(=O)[nH]c2=O)O1.
What is the InChIKey of 5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is NPVUAXVCVOGEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-8-6(4-10-9(14)12-8)7-2-1-5(16-7)3-11-15/h4-5,7H,1-3H2,(H2,10,12,13,14).
What are the key properties of 5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 225.20 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144981917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).