2-amino-5,5-dimethylcyclohex-2-en-1-one

C8H13NO — CID 139217377

IUPAC2-amino-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC=C(N)C(=O)C1
InChIInChI=1S/C8H13NO/c1-8(2)4-3-6(9)7(10)5-8/h3H,4-5,9H2,1-2H3
InChIKeyXLNPTOCFYOPQGR-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds

About 2-amino-5,5-dimethylcyclohex-2-en-1-one

2-amino-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 139217377) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-amino-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-amino-5,5-dimethylcyclohex-2-en-1-one
PubChem CID139217377
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-amino-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC=C(N)C(=O)C1
InChIInChI=1S/C8H13NO/c1-8(2)4-3-6(9)7(10)5-8/h3H,4-5,9H2,1-2H3
InChIKeyXLNPTOCFYOPQGR-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 2-amino-5,5-dimethylcyclohex-2-en-1-one (CID 139217377) is 2-amino-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-amino-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 2-amino-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC=C(N)C(=O)C1.
What is the InChIKey of 2-amino-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is XLNPTOCFYOPQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2)4-3-6(9)7(10)5-8/h3H,4-5,9H2,1-2H3.
What are the key properties of 2-amino-5,5-dimethylcyclohex-2-en-1-one?
2-amino-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 139.20 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 139217377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).