cyclopropylazanium dichloride

C3H8Cl2N- — CID 173255049

IUPACcyclopropylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]C1CC1
InChIInChI=1S/C3H7N.2ClH/c4-3-1-2-3;;/h3H,1-2,4H2;2*1H/p-1
InChIKeyQJBXPIZGUYIVKB-UHFFFAOYSA-M
MW129.01 g/mol
LogP-6.60
Rot. Bonds

About cyclopropylazanium dichloride

cyclopropylazanium dichloride (PubChem CID 173255049) has the molecular formula C3H8Cl2N- and a molecular weight of 129.01 g/mol. Its IUPAC name is cyclopropylazanium dichloride.

Molecular Properties

Compound Namecyclopropylazanium dichloride
PubChem CID173255049
Molecular FormulaC3H8Cl2N-
Molecular Weight129.01 g/mol
Exact Mass128.00
IUPAC Namecyclopropylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]C1CC1
InChIInChI=1S/C3H7N.2ClH/c4-3-1-2-3;;/h3H,1-2,4H2;2*1H/p-1
InChIKeyQJBXPIZGUYIVKB-UHFFFAOYSA-M
XLogP-6.60
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.01
LogP ≤ 5-6.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropylazanium dichloride?
The IUPAC name of cyclopropylazanium dichloride (CID 173255049) is cyclopropylazanium dichloride.
What is the SMILES notation for cyclopropylazanium dichloride?
The canonical SMILES for cyclopropylazanium dichloride is [Cl-].[Cl-].[NH3+]C1CC1.
What is the InChIKey of cyclopropylazanium dichloride?
The InChIKey is QJBXPIZGUYIVKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7N.2ClH/c4-3-1-2-3;;/h3H,1-2,4H2;2*1H/p-1.
What are the key properties of cyclopropylazanium dichloride?
cyclopropylazanium dichloride has a molecular weight of 129.01 g/mol, XLogP of -6.60, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylazanium dichloride is sourced from PubChem (CID 173255049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).