3-ethyl-2-(propylamino)cyclohex-2-en-1-one

C11H19NO — CID 142434260

IUPAC3-ethyl-2-(propylamino)cyclohex-2-en-1-one
SMILESCCCNC1=C(CC)CCCC1=O
InChIInChI=1S/C11H19NO/c1-3-8-12-11-9(4-2)6-5-7-10(11)13/h12H,3-8H2,1-2H3
InChIKeyBFRVEWVPXFPYPX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.40
Rot. Bonds4

About 3-ethyl-2-(propylamino)cyclohex-2-en-1-one

3-ethyl-2-(propylamino)cyclohex-2-en-1-one (PubChem CID 142434260) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-ethyl-2-(propylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-ethyl-2-(propylamino)cyclohex-2-en-1-one
PubChem CID142434260
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-ethyl-2-(propylamino)cyclohex-2-en-1-one
SMILESCCCNC1=C(CC)CCCC1=O
InChIInChI=1S/C11H19NO/c1-3-8-12-11-9(4-2)6-5-7-10(11)13/h12H,3-8H2,1-2H3
InChIKeyBFRVEWVPXFPYPX-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-(propylamino)cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(propylamino)cyclohex-2-en-1-one?
The IUPAC name of 3-ethyl-2-(propylamino)cyclohex-2-en-1-one (CID 142434260) is 3-ethyl-2-(propylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-ethyl-2-(propylamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-ethyl-2-(propylamino)cyclohex-2-en-1-one is CCCNC1=C(CC)CCCC1=O.
What is the InChIKey of 3-ethyl-2-(propylamino)cyclohex-2-en-1-one?
The InChIKey is BFRVEWVPXFPYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-8-12-11-9(4-2)6-5-7-10(11)13/h12H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-2-(propylamino)cyclohex-2-en-1-one?
3-ethyl-2-(propylamino)cyclohex-2-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(propylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 142434260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).