3-amino-2,5,5-trimethylcyclohex-2-en-1-one

C9H15NO — CID 3827783

IUPAC3-amino-2,5,5-trimethylcyclohex-2-en-1-one
SMILESCC1=C(N)CC(C)(C)CC1=O
InChIInChI=1S/C9H15NO/c1-6-7(10)4-9(2,3)5-8(6)11/h4-5,10H2,1-3H3
InChIKeyYDWNQGXESAPARY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds

About 3-amino-2,5,5-trimethylcyclohex-2-en-1-one

3-amino-2,5,5-trimethylcyclohex-2-en-1-one (PubChem CID 3827783) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-amino-2,5,5-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-amino-2,5,5-trimethylcyclohex-2-en-1-one
PubChem CID3827783
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-amino-2,5,5-trimethylcyclohex-2-en-1-one
SMILESCC1=C(N)CC(C)(C)CC1=O
InChIInChI=1S/C9H15NO/c1-6-7(10)4-9(2,3)5-8(6)11/h4-5,10H2,1-3H3
InChIKeyYDWNQGXESAPARY-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5,5-trimethylcyclohex-2-en-1-one?
The IUPAC name of 3-amino-2,5,5-trimethylcyclohex-2-en-1-one (CID 3827783) is 3-amino-2,5,5-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-amino-2,5,5-trimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-amino-2,5,5-trimethylcyclohex-2-en-1-one is CC1=C(N)CC(C)(C)CC1=O.
What is the InChIKey of 3-amino-2,5,5-trimethylcyclohex-2-en-1-one?
The InChIKey is YDWNQGXESAPARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-7(10)4-9(2,3)5-8(6)11/h4-5,10H2,1-3H3.
What are the key properties of 3-amino-2,5,5-trimethylcyclohex-2-en-1-one?
3-amino-2,5,5-trimethylcyclohex-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,5-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 3827783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).