azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one

C9H18N4O — CID 69256439

IUPACazane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one
SMILESC1=NCCN1.C=CN1CCCC1=O.N
InChIInChI=1S/C6H9NO.C3H6N2.H3N/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);1H3
InChIKeyJXUGSEGUPJCAHW-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.53
Rot. Bonds1

About azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one

azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one (PubChem CID 69256439) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Nameazane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one
PubChem CID69256439
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Nameazane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one
SMILESC1=NCCN1.C=CN1CCCC1=O.N
InChIInChI=1S/C6H9NO.C3H6N2.H3N/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);1H3
InChIKeyJXUGSEGUPJCAHW-UHFFFAOYSA-N
XLogP0.53
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one?
The IUPAC name of azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one (CID 69256439) is azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one?
The canonical SMILES for azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one is C1=NCCN1.C=CN1CCCC1=O.N.
What is the InChIKey of azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one?
The InChIKey is JXUGSEGUPJCAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H6N2.H3N/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);1H3.
What are the key properties of azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one?
azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 69256439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).