1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium

C8H14N3O4Re — CID 174813239

IUPAC1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium
SMILESC=Cn1ccnc1C(N)CC.O=[Re](=O)(=O)O
InChIInChI=1S/C8H13N3.H2O.3O.Re/c1-3-7(9)8-10-5-6-11(8)4-2;;;;;/h4-7H,2-3,9H2,1H3;1H2;;;;/q;;;;;+1/p-1
InChIKeyNUOMBZJUQJPQMN-UHFFFAOYSA-M
MW402.42 g/mol
LogP0.48
Rot. Bonds3

About 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium

1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium (PubChem CID 174813239) has the molecular formula C8H14N3O4Re and a molecular weight of 402.42 g/mol. Its IUPAC name is 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium.

Molecular Properties

Compound Name1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium
PubChem CID174813239
Molecular FormulaC8H14N3O4Re
Molecular Weight402.42 g/mol
Exact Mass403.05
IUPAC Name1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium
SMILESC=Cn1ccnc1C(N)CC.O=[Re](=O)(=O)O
InChIInChI=1S/C8H13N3.H2O.3O.Re/c1-3-7(9)8-10-5-6-11(8)4-2;;;;;/h4-7H,2-3,9H2,1H3;1H2;;;;/q;;;;;+1/p-1
InChIKeyNUOMBZJUQJPQMN-UHFFFAOYSA-M
XLogP0.48
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid
CID 172745142
2-[1,12-dibromo-12-(1-ethenylimidazol-2-yl)dodecyl]-1-ethenylimidazole
CID 118036109
1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
CID 159895967
4-(1-ethenylimidazol-2-yl)butane-2-sulfonic acid;sulfuric acid
CID 174577179
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
1-ethenyl-2-(propoxymethyl)imidazole
CID 102357846
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
(1-ethenylimidazol-2-yl) formate
CID 140908161
ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate
CID 83439070
ethyl 2-propan-2-ylimidazole-1-carboxylate
CID 15557002
1-bromo-1-(1-ethenylimidazol-2-yl)ethanamine
CID 175437463

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium?
The IUPAC name of 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium (CID 174813239) is 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium.
What is the SMILES notation for 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium?
The canonical SMILES for 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium is C=Cn1ccnc1C(N)CC.O=[Re](=O)(=O)O.
What is the InChIKey of 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium?
The InChIKey is NUOMBZJUQJPQMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13N3.H2O.3O.Re/c1-3-7(9)8-10-5-6-11(8)4-2;;;;;/h4-7H,2-3,9H2,1H3;1H2;;;;/q;;;;;+1/p-1.
What are the key properties of 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium?
1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium has a molecular weight of 402.42 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylimidazol-2-yl)propan-1-amine;hydroxy(trioxo)rhenium is sourced from PubChem (CID 174813239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).