2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole

C8H14N2 — CID 142083400

IUPAC2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole
SMILESC/C=C\CC1=NCCN1C
InChIInChI=1S/C8H14N2/c1-3-4-5-8-9-6-7-10(8)2/h3-4H,5-7H2,1-2H3/b4-3-
InChIKeyUFCGFBXZDPRAPC-ARJAWSKDSA-N
MW138.21 g/mol
LogP1.30
Rot. Bonds2

About 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole

2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole (PubChem CID 142083400) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole
PubChem CID142083400
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole
SMILESC/C=C\CC1=NCCN1C
InChIInChI=1S/C8H14N2/c1-3-4-5-8-9-6-7-10(8)2/h3-4H,5-7H2,1-2H3/b4-3-
InChIKeyUFCGFBXZDPRAPC-ARJAWSKDSA-N
XLogP1.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-fluorobut-2-enyl]-1-methyl-4,5-dihydroimidazole
CID 142083387
2-[(E)-3-fluoroprop-2-enyl]-1-methyl-4,5-dihydroimidazole
CID 142083523
2-(Nonadeca-4,7,10,13-tetraenyl)-N-methylimidazoline
CID 5369160
2-(Heneicosa-3,6,9,12,15,18-hexaenyl)-N-methylimidazoline
CID 5372332
Qxhjbiadxofkqz-nscuhmnnsa-
CID 13088312
2,3,5,6-Tetrahydroimidazo[1,2-a]pyridine
CID 45087105
N-ethyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56614380
N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56620788
N,N-diethyl-2,5-dihydropyridin-6-amine
CID 56625538
N-butyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56629172
1-methyl-N-propyl-2,5-dihydropyridin-6-imine
CID 56633011
2-Ethyl-1-methyl-3a,7a-dihydrobenzimidazole
CID 59197950

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole (CID 142083400) is 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole is C/C=C\CC1=NCCN1C.
What is the InChIKey of 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole?
The InChIKey is UFCGFBXZDPRAPC-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-8-9-6-7-10(8)2/h3-4H,5-7H2,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole?
2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole has a molecular weight of 138.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 142083400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).