1-methylpyrrolidin-2-one;nitric acid

C5H10N2O4 — CID 71426471

IUPAC1-methylpyrrolidin-2-one;nitric acid
SMILESCN1CCCC1=O.O=[N+]([O-])O
InChIInChI=1S/C5H9NO.HNO3/c1-6-4-2-3-5(6)7;2-1(3)4/h2-4H2,1H3;(H,2,3,4)
InChIKeyVZYMLYQZTKTYSE-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.11
Rot. Bonds

About 1-methylpyrrolidin-2-one;nitric acid

1-methylpyrrolidin-2-one;nitric acid (PubChem CID 71426471) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;nitric acid.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;nitric acid
PubChem CID71426471
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Name1-methylpyrrolidin-2-one;nitric acid
SMILESCN1CCCC1=O.O=[N+]([O-])O
InChIInChI=1S/C5H9NO.HNO3/c1-6-4-2-3-5(6)7;2-1(3)4/h2-4H2,1H3;(H,2,3,4)
InChIKeyVZYMLYQZTKTYSE-UHFFFAOYSA-N
XLogP-0.11
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-nitroxypropyl) succinimide
CID 15341326
N-methylpyrrolidone-water
CID 22287110
Nitric acid--1-ethylpyrrolidin-2-one (1/1)
CID 69231253
1-Methylpyrrolidin-2-one;dihydrate
CID 71447185
1,5-Dimethylpyrrolidin-2-one;nitric acid
CID 69230280
1-Ethylpyrrolidin-2-one;hydrate
CID 69673557
1-Methylpyrrolidin-2-one;nitrous acid
CID 88078501
(2-Oxopyrrolidin-1-yl) nitrate
CID 141114658
1-Methylpyrrolidin-2-one;nitromethane
CID 157188840
Nitric acid;pyrrolidin-2-one
CID 157934759
1-Ethenylpyrrolidin-2-one;nitric acid
CID 161399380
N,N-diethylbutanamide;nitric acid
CID 172729666

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;nitric acid?
The IUPAC name of 1-methylpyrrolidin-2-one;nitric acid (CID 71426471) is 1-methylpyrrolidin-2-one;nitric acid.
What is the SMILES notation for 1-methylpyrrolidin-2-one;nitric acid?
The canonical SMILES for 1-methylpyrrolidin-2-one;nitric acid is CN1CCCC1=O.O=[N+]([O-])O.
What is the InChIKey of 1-methylpyrrolidin-2-one;nitric acid?
The InChIKey is VZYMLYQZTKTYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.HNO3/c1-6-4-2-3-5(6)7;2-1(3)4/h2-4H2,1H3;(H,2,3,4).
What are the key properties of 1-methylpyrrolidin-2-one;nitric acid?
1-methylpyrrolidin-2-one;nitric acid has a molecular weight of 162.15 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;nitric acid is sourced from PubChem (CID 71426471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).