3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride

C7H13Cl2N3O — CID 134690777

IUPAC3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ncc[nH]2)CCOC1
InChIInChI=1S/C7H11N3O.2ClH/c8-7(1-4-11-5-7)6-9-2-3-10-6;;/h2-3H,1,4-5,8H2,(H,9,10);2*1H
InChIKeyVIMIUIHSZUMCKF-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.83
Rot. Bonds1

About 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride

3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride (PubChem CID 134690777) has the molecular formula C7H13Cl2N3O and a molecular weight of 226.11 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride
PubChem CID134690777
Molecular FormulaC7H13Cl2N3O
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Name3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ncc[nH]2)CCOC1
InChIInChI=1S/C7H11N3O.2ClH/c8-7(1-4-11-5-7)6-9-2-3-10-6;;/h2-3H,1,4-5,8H2,(H,9,10);2*1H
InChIKeyVIMIUIHSZUMCKF-UHFFFAOYSA-N
XLogP0.83
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride?
The IUPAC name of 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride (CID 134690777) is 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride.
What is the SMILES notation for 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride?
The canonical SMILES for 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride is Cl.Cl.NC1(c2ncc[nH]2)CCOC1.
What is the InChIKey of 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride?
The InChIKey is VIMIUIHSZUMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.2ClH/c8-7(1-4-11-5-7)6-9-2-3-10-6;;/h2-3H,1,4-5,8H2,(H,9,10);2*1H.
What are the key properties of 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride?
3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride has a molecular weight of 226.11 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 134690777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).