3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide

C8H14BrNO — CID 67510926

IUPAC3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide
SMILESBr.CC1(C)CC(=O)C=C(N)C1
InChIInChI=1S/C8H13NO.BrH/c1-8(2)4-6(9)3-7(10)5-8;/h3H,4-5,9H2,1-2H3;1H
InChIKeyDWDNMWIYAODIDO-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.80
Rot. Bonds

About 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide

3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide (PubChem CID 67510926) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide.

Molecular Properties

Compound Name3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide
PubChem CID67510926
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide
SMILESBr.CC1(C)CC(=O)C=C(N)C1
InChIInChI=1S/C8H13NO.BrH/c1-8(2)4-6(9)3-7(10)5-8;/h3H,4-5,9H2,1-2H3;1H
InChIKeyDWDNMWIYAODIDO-UHFFFAOYSA-N
XLogP1.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide?
The IUPAC name of 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide (CID 67510926) is 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide.
What is the SMILES notation for 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide?
The canonical SMILES for 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide is Br.CC1(C)CC(=O)C=C(N)C1.
What is the InChIKey of 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide?
The InChIKey is DWDNMWIYAODIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.BrH/c1-8(2)4-6(9)3-7(10)5-8;/h3H,4-5,9H2,1-2H3;1H.
What are the key properties of 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide?
3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide has a molecular weight of 220.11 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide is sourced from PubChem (CID 67510926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).