ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene

C13H24N2 — CID 142843948

IUPACethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene
SMILESC=C/C(=C\C)C1=NCCN1.C=CC.CC
InChIInChI=1S/C8H12N2.C3H6.C2H6/c1-3-7(4-2)8-9-5-6-10-8;1-3-2;1-2/h3-4H,1,5-6H2,2H3,(H,9,10);3H,1H2,2H3;1-2H3/b7-4+;;
InChIKeyOSCUANCGXQLCNZ-RDRKJGRWSA-N
MW208.35 g/mol
LogP3.34
Rot. Bonds2

About ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene

ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene (PubChem CID 142843948) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene.

Molecular Properties

Compound Nameethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene
PubChem CID142843948
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene
SMILESC=C/C(=C\C)C1=NCCN1.C=CC.CC
InChIInChI=1S/C8H12N2.C3H6.C2H6/c1-3-7(4-2)8-9-5-6-10-8;1-3-2;1-2/h3-4H,1,5-6H2,2H3,(H,9,10);3H,1H2,2H3;1-2H3/b7-4+;;
InChIKeyOSCUANCGXQLCNZ-RDRKJGRWSA-N
XLogP3.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E,3E)-penta-1,3-dienyl]-4,5-dihydro-1H-imidazole
CID 21608210
2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CID 20467551
2-penta-1,3-dien-3-yl-4,5-dihydro-1H-imidazole
CID 54153772
2-methyl-N'-propan-2-yl-3a,7a-dihydro-3H-benzimidazole-5-carboximidamide
CID 58856209
N-[2-(3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69191892
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
CID 118973189
2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 123201696
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 142160651
ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine
CID 142874757

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene?
The IUPAC name of ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene (CID 142843948) is ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene.
What is the SMILES notation for ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene?
The canonical SMILES for ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene is C=C/C(=C\C)C1=NCCN1.C=CC.CC.
What is the InChIKey of ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene?
The InChIKey is OSCUANCGXQLCNZ-RDRKJGRWSA-N. The full InChI is InChI=1S/C8H12N2.C3H6.C2H6/c1-3-7(4-2)8-9-5-6-10-8;1-3-2;1-2/h3-4H,1,5-6H2,2H3,(H,9,10);3H,1H2,2H3;1-2H3/b7-4+;;.
What are the key properties of ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene?
ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene has a molecular weight of 208.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene is sourced from PubChem (CID 142843948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).