3-(3-methylbut-2-enyl)-1,2-dihydroimidazole

C8H14N2 — CID 90728024

IUPAC3-(3-methylbut-2-enyl)-1,2-dihydroimidazole
SMILESCC(C)=CCN1C=CNC1
InChIInChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h3-4,6,9H,5,7H2,1-2H3
InChIKeyUDHSGCKNRDYIAB-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds2

About 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole

3-(3-methylbut-2-enyl)-1,2-dihydroimidazole (PubChem CID 90728024) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(3-methylbut-2-enyl)-1,2-dihydroimidazole
PubChem CID90728024
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-(3-methylbut-2-enyl)-1,2-dihydroimidazole
SMILESCC(C)=CCN1C=CNC1
InChIInChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h3-4,6,9H,5,7H2,1-2H3
InChIKeyUDHSGCKNRDYIAB-UHFFFAOYSA-N
XLogP1.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole?
The IUPAC name of 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole (CID 90728024) is 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole is CC(C)=CCN1C=CNC1.
What is the InChIKey of 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole?
The InChIKey is UDHSGCKNRDYIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h3-4,6,9H,5,7H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole?
3-(3-methylbut-2-enyl)-1,2-dihydroimidazole has a molecular weight of 138.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enyl)-1,2-dihydroimidazole is sourced from PubChem (CID 90728024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).