N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine

C8H13N3 — CID 123314398

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine
SMILESC=CC(CC)=NC1=NCCN1
InChIInChI=1S/C8H13N3/c1-3-7(4-2)11-8-9-5-6-10-8/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyGINWDAMUAQZDFQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.98
Rot. Bonds2

About N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine

N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine (PubChem CID 123314398) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine
PubChem CID123314398
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine
SMILESC=CC(CC)=NC1=NCCN1
InChIInChI=1S/C8H13N3/c1-3-7(4-2)11-8-9-5-6-10-8/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyGINWDAMUAQZDFQ-UHFFFAOYSA-N
XLogP0.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine (CID 123314398) is N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine is C=CC(CC)=NC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine?
The InChIKey is GINWDAMUAQZDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-7(4-2)11-8-9-5-6-10-8/h3H,1,4-6H2,2H3,(H,9,10).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine?
N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine has a molecular weight of 151.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)pent-1-en-3-imine is sourced from PubChem (CID 123314398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).