3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

C11H18N2O2 — CID 4970336

IUPAC3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESNC1=C(CN2CCOCC2)C(=O)CCC1
InChIInChI=1S/C11H18N2O2/c12-10-2-1-3-11(14)9(10)8-13-4-6-15-7-5-13/h1-8,12H2
InChIKeyYTFNWXSKLAXFCV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.28
Rot. Bonds2

About 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (PubChem CID 4970336) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
PubChem CID4970336
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESNC1=C(CN2CCOCC2)C(=O)CCC1
InChIInChI=1S/C11H18N2O2/c12-10-2-1-3-11(14)9(10)8-13-4-6-15-7-5-13/h1-8,12H2
InChIKeyYTFNWXSKLAXFCV-UHFFFAOYSA-N
XLogP0.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(morpholin-4-ylmethyl)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

Related Compounds

2-acetyl-1-(N-morpholinyl)cyclohexene
CID 12366496
5-Amino-3-morpholin-4-ylcyclohex-2-en-1-one
CID 123811032
2,3-dimethyl-5-(1-morpholin-4-ylethyl)-1H-pyridin-4-one
CID 126731271
3-(Cyclopentylamino)-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
CID 139635690
3-Amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
CID 4239326
3-(2-Methoxyethylamino)-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
CID 4860045
3-Amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
CID 4886957
2-Methyl-3-morpholin-4-ylcyclohex-2-en-1-one
CID 11127165
(E)-4-amino-3-(morpholin-4-ylmethyl)pent-3-en-2-one
CID 12794246
3-Amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride
CID 19317751
3-Amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride
CID 19317755
3-Amino-5,5-dimethyl-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride
CID 20098509

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (CID 4970336) is 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is NC1=C(CN2CCOCC2)C(=O)CCC1.
What is the InChIKey of 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is YTFNWXSKLAXFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-10-2-1-3-11(14)9(10)8-13-4-6-15-7-5-13/h1-8,12H2.
What are the key properties of 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 210.28 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 4970336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).