2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole

C18H29N3 — CID 145088276

IUPAC2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole
SMILESC=Cc1[nH]cc(CC)c1C=C.CC.CC(C)c1cnc[nH]1
InChIInChI=1S/C10H13N.C6H10N2.C2H6/c1-4-8-7-11-10(6-3)9(8)5-2;1-5(2)6-3-7-4-8-6;1-2/h5-7,11H,2-4H2,1H3;3-5H,1-2H3,(H,7,8);1-2H3
InChIKeyFQHQJZCALMDQOK-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.42
Rot. Bonds4

About 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole

2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole (PubChem CID 145088276) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole
PubChem CID145088276
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole
SMILESC=Cc1[nH]cc(CC)c1C=C.CC.CC(C)c1cnc[nH]1
InChIInChI=1S/C10H13N.C6H10N2.C2H6/c1-4-8-7-11-10(6-3)9(8)5-2;1-5(2)6-3-7-4-8-6;1-2/h5-7,11H,2-4H2,1H3;3-5H,1-2H3,(H,7,8);1-2H3
InChIKeyFQHQJZCALMDQOK-UHFFFAOYSA-N
XLogP5.42
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
CID 55254810
(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol
CID 58951912
4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
CID 144715193
ethane;5-(1-phenylethyl)-1H-imidazole
CID 123176556
diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole
CID 67927664
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole?
The IUPAC name of 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole (CID 145088276) is 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole is C=Cc1[nH]cc(CC)c1C=C.CC.CC(C)c1cnc[nH]1.
What is the InChIKey of 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole?
The InChIKey is FQHQJZCALMDQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C6H10N2.C2H6/c1-4-8-7-11-10(6-3)9(8)5-2;1-5(2)6-3-7-4-8-6;1-2/h5-7,11H,2-4H2,1H3;3-5H,1-2H3,(H,7,8);1-2H3.
What are the key properties of 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole?
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole has a molecular weight of 287.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 145088276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).