4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one

C12H21NO — CID 91420354

IUPAC4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one
SMILESCCN(CC)CCC1C=CC(=O)CC1
InChIInChI=1S/C12H21NO/c1-3-13(4-2)10-9-11-5-7-12(14)8-6-11/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyVEBPUTKTPDQRMV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds5

About 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one

4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one (PubChem CID 91420354) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one
PubChem CID91420354
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one
SMILESCCN(CC)CCC1C=CC(=O)CC1
InChIInChI=1S/C12H21NO/c1-3-13(4-2)10-9-11-5-7-12(14)8-6-11/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyVEBPUTKTPDQRMV-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one?
The IUPAC name of 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one (CID 91420354) is 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one?
The canonical SMILES for 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one is CCN(CC)CCC1C=CC(=O)CC1.
What is the InChIKey of 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one?
The InChIKey is VEBPUTKTPDQRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-13(4-2)10-9-11-5-7-12(14)8-6-11/h5,7,11H,3-4,6,8-10H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one?
4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 91420354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).