molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole

C6H10N4 — CID 174534440

IUPACmolecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole
SMILESC=CCN1C=NCC1.N#N
InChIInChI=1S/C6H10N2.N2/c1-2-4-8-5-3-7-6-8;1-2/h2,6H,1,3-5H2;
InChIKeyNIBIHBFDXDBDLL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.55
Rot. Bonds2

About molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole

molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole (PubChem CID 174534440) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole.

Molecular Properties

Compound Namemolecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole
PubChem CID174534440
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Namemolecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole
SMILESC=CCN1C=NCC1.N#N
InChIInChI=1S/C6H10N2.N2/c1-2-4-8-5-3-7-6-8;1-2/h2,6H,1,3-5H2;
InChIKeyNIBIHBFDXDBDLL-UHFFFAOYSA-N
XLogP0.55
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole?
The IUPAC name of molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole (CID 174534440) is molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole.
What is the SMILES notation for molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole?
The canonical SMILES for molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole is C=CCN1C=NCC1.N#N.
What is the InChIKey of molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole?
The InChIKey is NIBIHBFDXDBDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.N2/c1-2-4-8-5-3-7-6-8;1-2/h2,6H,1,3-5H2;.
What are the key properties of molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole?
molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole has a molecular weight of 138.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular nitrogen;1-prop-2-enyl-4,5-dihydroimidazole is sourced from PubChem (CID 174534440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).