(1-carboxycyclohexyl)azanium bromide

C7H14BrNO2 — CID 110192622

IUPAC(1-carboxycyclohexyl)azanium bromide
SMILES[Br-].[NH3+]C1(C(=O)O)CCCCC1
InChIInChI=1S/C7H13NO2.BrH/c8-7(6(9)10)4-2-1-3-5-7;/h1-5,8H2,(H,9,10);1H
InChIKeyZSGUQVJFFAYNPL-UHFFFAOYSA-N
MW224.10 g/mol
LogP-2.98
Rot. Bonds1

About (1-carboxycyclohexyl)azanium bromide

(1-carboxycyclohexyl)azanium bromide (PubChem CID 110192622) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is (1-carboxycyclohexyl)azanium bromide.

Molecular Properties

Compound Name(1-carboxycyclohexyl)azanium bromide
PubChem CID110192622
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC Name(1-carboxycyclohexyl)azanium bromide
SMILES[Br-].[NH3+]C1(C(=O)O)CCCCC1
InChIInChI=1S/C7H13NO2.BrH/c8-7(6(9)10)4-2-1-3-5-7;/h1-5,8H2,(H,9,10);1H
InChIKeyZSGUQVJFFAYNPL-UHFFFAOYSA-N
XLogP-2.98
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 5-2.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-carboxycyclohexyl)azanium bromide?
The IUPAC name of (1-carboxycyclohexyl)azanium bromide (CID 110192622) is (1-carboxycyclohexyl)azanium bromide.
What is the SMILES notation for (1-carboxycyclohexyl)azanium bromide?
The canonical SMILES for (1-carboxycyclohexyl)azanium bromide is [Br-].[NH3+]C1(C(=O)O)CCCCC1.
What is the InChIKey of (1-carboxycyclohexyl)azanium bromide?
The InChIKey is ZSGUQVJFFAYNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.BrH/c8-7(6(9)10)4-2-1-3-5-7;/h1-5,8H2,(H,9,10);1H.
What are the key properties of (1-carboxycyclohexyl)azanium bromide?
(1-carboxycyclohexyl)azanium bromide has a molecular weight of 224.10 g/mol, XLogP of -2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxycyclohexyl)azanium bromide is sourced from PubChem (CID 110192622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).