3-(ethylamino)cyclohex-2-en-1-one

C8H13NO — CID 2751402

IUPAC3-(ethylamino)cyclohex-2-en-1-one
SMILESCCNC1=CC(=O)CCC1
InChIInChI=1S/C8H13NO/c1-2-9-7-4-3-5-8(10)6-7/h6,9H,2-5H2,1H3
InChIKeyMXHJKDNUAYJPPL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds2

About 3-(ethylamino)cyclohex-2-en-1-one

3-(ethylamino)cyclohex-2-en-1-one (PubChem CID 2751402) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(ethylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(ethylamino)cyclohex-2-en-1-one
PubChem CID2751402
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(ethylamino)cyclohex-2-en-1-one
SMILESCCNC1=CC(=O)CCC1
InChIInChI=1S/C8H13NO/c1-2-9-7-4-3-5-8(10)6-7/h6,9H,2-5H2,1H3
InChIKeyMXHJKDNUAYJPPL-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(ethylamino)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-(ethylamino)cyclohex-2-en-1-one?
The IUPAC name of 3-(ethylamino)cyclohex-2-en-1-one (CID 2751402) is 3-(ethylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(ethylamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(ethylamino)cyclohex-2-en-1-one is CCNC1=CC(=O)CCC1.
What is the InChIKey of 3-(ethylamino)cyclohex-2-en-1-one?
The InChIKey is MXHJKDNUAYJPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-9-7-4-3-5-8(10)6-7/h6,9H,2-5H2,1H3.
What are the key properties of 3-(ethylamino)cyclohex-2-en-1-one?
3-(ethylamino)cyclohex-2-en-1-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 2751402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).