4-(dimethylamino)-3-methylcyclohex-2-en-1-one

C9H15NO — CID 58731040

IUPAC4-(dimethylamino)-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CCC1N(C)C
InChIInChI=1S/C9H15NO/c1-7-6-8(11)4-5-9(7)10(2)3/h6,9H,4-5H2,1-3H3
InChIKeyPCXXRTSYDQBYDL-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds1

About 4-(dimethylamino)-3-methylcyclohex-2-en-1-one

4-(dimethylamino)-3-methylcyclohex-2-en-1-one (PubChem CID 58731040) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-3-methylcyclohex-2-en-1-one
PubChem CID58731040
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-(dimethylamino)-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CCC1N(C)C
InChIInChI=1S/C9H15NO/c1-7-6-8(11)4-5-9(7)10(2)3/h6,9H,4-5H2,1-3H3
InChIKeyPCXXRTSYDQBYDL-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-methylcyclohex-2-en-1-one?
The IUPAC name of 4-(dimethylamino)-3-methylcyclohex-2-en-1-one (CID 58731040) is 4-(dimethylamino)-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for 4-(dimethylamino)-3-methylcyclohex-2-en-1-one?
The canonical SMILES for 4-(dimethylamino)-3-methylcyclohex-2-en-1-one is CC1=CC(=O)CCC1N(C)C.
What is the InChIKey of 4-(dimethylamino)-3-methylcyclohex-2-en-1-one?
The InChIKey is PCXXRTSYDQBYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-6-8(11)4-5-9(7)10(2)3/h6,9H,4-5H2,1-3H3.
What are the key properties of 4-(dimethylamino)-3-methylcyclohex-2-en-1-one?
4-(dimethylamino)-3-methylcyclohex-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 58731040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).