dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate

C14H25N3O4 — CID 175338210

IUPACdimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate
SMILESC=CC[N+](C)(C)CC=C.C=CN1CCCC1=O.O=[N+]([O-])[O-]
InChIInChI=1S/C8H16N.C6H9NO.NO3/c1-5-7-9(3,4)8-6-2;1-2-7-5-3-4-6(7)8;2-1(3)4/h5-6H,1-2,7-8H2,3-4H3;2H,1,3-5H2;/q+1;;-1
InChIKeyHWBDXNREQXWRTJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.95
Rot. Bonds5

About dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate

dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate (PubChem CID 175338210) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate
PubChem CID175338210
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namedimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate
SMILESC=CC[N+](C)(C)CC=C.C=CN1CCCC1=O.O=[N+]([O-])[O-]
InChIInChI=1S/C8H16N.C6H9NO.NO3/c1-5-7-9(3,4)8-6-2;1-2-7-5-3-4-6(7)8;2-1(3)4/h5-6H,1-2,7-8H2,3-4H3;2H,1,3-5H2;/q+1;;-1
InChIKeyHWBDXNREQXWRTJ-UHFFFAOYSA-N
XLogP1.95
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate (CID 175338210) is dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate is C=CC[N+](C)(C)CC=C.C=CN1CCCC1=O.O=[N+]([O-])[O-].
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate?
The InChIKey is HWBDXNREQXWRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.C6H9NO.NO3/c1-5-7-9(3,4)8-6-2;1-2-7-5-3-4-6(7)8;2-1(3)4/h5-6H,1-2,7-8H2,3-4H3;2H,1,3-5H2;/q+1;;-1.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate?
dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate has a molecular weight of 299.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium;1-ethenylpyrrolidin-2-one;nitrate is sourced from PubChem (CID 175338210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).