5-methyl-3-(methylamino)cyclohex-2-en-1-one

C8H13NO — CID 55287802

IUPAC5-methyl-3-(methylamino)cyclohex-2-en-1-one
SMILESCNC1=CC(=O)CC(C)C1
InChIInChI=1S/C8H13NO/c1-6-3-7(9-2)5-8(10)4-6/h5-6,9H,3-4H2,1-2H3
InChIKeyOCHXKXRQRVWQLS-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds1

About 5-methyl-3-(methylamino)cyclohex-2-en-1-one

5-methyl-3-(methylamino)cyclohex-2-en-1-one (PubChem CID 55287802) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methyl-3-(methylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-methyl-3-(methylamino)cyclohex-2-en-1-one
PubChem CID55287802
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-methyl-3-(methylamino)cyclohex-2-en-1-one
SMILESCNC1=CC(=O)CC(C)C1
InChIInChI=1S/C8H13NO/c1-6-3-7(9-2)5-8(10)4-6/h5-6,9H,3-4H2,1-2H3
InChIKeyOCHXKXRQRVWQLS-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylamino)cyclohex-2-en-1-one?
The IUPAC name of 5-methyl-3-(methylamino)cyclohex-2-en-1-one (CID 55287802) is 5-methyl-3-(methylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5-methyl-3-(methylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5-methyl-3-(methylamino)cyclohex-2-en-1-one is CNC1=CC(=O)CC(C)C1.
What is the InChIKey of 5-methyl-3-(methylamino)cyclohex-2-en-1-one?
The InChIKey is OCHXKXRQRVWQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-7(9-2)5-8(10)4-6/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 5-methyl-3-(methylamino)cyclohex-2-en-1-one?
5-methyl-3-(methylamino)cyclohex-2-en-1-one has a molecular weight of 139.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 55287802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).