3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate

C7H10N2O5 — CID 15341326

IUPAC3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate
SMILESO=C1CCC(=O)N1CCCO[N+](=O)[O-]
InChIInChI=1S/C7H10N2O5/c10-6-2-3-7(11)8(6)4-1-5-14-9(12)13/h1-5H2
InChIKeyKKFXWRNFMYUJQJ-UHFFFAOYSA-N
MW202.17 g/mol
LogP-0.27
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate

3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate (PubChem CID 15341326) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate
PubChem CID15341326
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate
SMILESO=C1CCC(=O)N1CCCO[N+](=O)[O-]
InChIInChI=1S/C7H10N2O5/c10-6-2-3-7(11)8(6)4-1-5-14-9(12)13/h1-5H2
InChIKeyKKFXWRNFMYUJQJ-UHFFFAOYSA-N
XLogP-0.27
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dioxopyrrolidin-1-yl)methyl nitrate
CID 15341325
Nitric acid--1-ethylpyrrolidin-2-one (1/1)
CID 69231253
N-(2-nitroxyethyl)succinimide
CID 15341331
1-Methylpyrrolidin-2-one;nitric acid
CID 71426471
1-(3-Aminooxypropyl)pyrrolidin-2-one
CID 86200027
Silver;1-methylpyrrolidin-2-one;nitrate
CID 174809360
1-Methylpyrrolidin-2-one;nickel(2+);dinitrate
CID 175425865
Copper(1+);1-methylpyrrolidin-2-one;nitrate
CID 175539461

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate (CID 15341326) is 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate is O=C1CCC(=O)N1CCCO[N+](=O)[O-].
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate?
The InChIKey is KKFXWRNFMYUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c10-6-2-3-7(11)8(6)4-1-5-14-9(12)13/h1-5H2.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate?
3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate has a molecular weight of 202.17 g/mol, XLogP of -0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)propyl nitrate is sourced from PubChem (CID 15341326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).