4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride

C9H16ClN3O — CID 158027903

IUPAC4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride
SMILESC1=NCC[NH2+]1.C=CN1CCCC1=O.[Cl-]
InChIInChI=1S/C6H9NO.C3H6N2.ClH/c1-2-7-5-3-4-6(7)8;1-2-5-3-4-1;/h2H,1,3-5H2;3H,1-2H2,(H,4,5);1H
InChIKeyZTGYWKGGFPFMGE-UHFFFAOYSA-N
MW217.70 g/mol
LogP-3.65
Rot. Bonds1

About 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride

4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride (PubChem CID 158027903) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride
PubChem CID158027903
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride
SMILESC1=NCC[NH2+]1.C=CN1CCCC1=O.[Cl-]
InChIInChI=1S/C6H9NO.C3H6N2.ClH/c1-2-7-5-3-4-6(7)8;1-2-5-3-4-1;/h2H,1,3-5H2;3H,1-2H2,(H,4,5);1H
InChIKeyZTGYWKGGFPFMGE-UHFFFAOYSA-N
XLogP-3.65
TPSA49.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 5-3.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride?
The IUPAC name of 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride (CID 158027903) is 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride?
The canonical SMILES for 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride is C1=NCC[NH2+]1.C=CN1CCCC1=O.[Cl-].
What is the InChIKey of 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride?
The InChIKey is ZTGYWKGGFPFMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H6N2.ClH/c1-2-7-5-3-4-6(7)8;1-2-5-3-4-1;/h2H,1,3-5H2;3H,1-2H2,(H,4,5);1H.
What are the key properties of 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride?
4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride has a molecular weight of 217.70 g/mol, XLogP of -3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-1-ium;1-ethenylpyrrolidin-2-one;chloride is sourced from PubChem (CID 158027903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).