4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one

C9H15NO — CID 18320375

IUPAC4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one
SMILESCNC1CC(=O)C=CC1(C)C
InChIInChI=1S/C9H15NO/c1-9(2)5-4-7(11)6-8(9)10-3/h4-5,8,10H,6H2,1-3H3
InChIKeyPYKDQCOTKYQOOJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds1

About 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one

4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one (PubChem CID 18320375) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one
PubChem CID18320375
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one
SMILESCNC1CC(=O)C=CC1(C)C
InChIInChI=1S/C9H15NO/c1-9(2)5-4-7(11)6-8(9)10-3/h4-5,8,10H,6H2,1-3H3
InChIKeyPYKDQCOTKYQOOJ-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one (CID 18320375) is 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one is CNC1CC(=O)C=CC1(C)C.
What is the InChIKey of 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one?
The InChIKey is PYKDQCOTKYQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2)5-4-7(11)6-8(9)10-3/h4-5,8,10H,6H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one?
4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(methylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 18320375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).