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

C11H19ClN2O2 — CID 19317755

IUPAC3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride
SMILESCl.NC1=C(CN2CCOCC2)C(=O)CCC1
InChIInChI=1S/C11H18N2O2.ClH/c12-10-2-1-3-11(14)9(10)8-13-4-6-15-7-5-13;/h1-8,12H2;1H
InChIKeyQYNVRCLBLFDENO-UHFFFAOYSA-N
MW246.74 g/mol
LogP0.71
Rot. Bonds2

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

3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride (PubChem CID 19317755) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride
PubChem CID19317755
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride
SMILESCl.NC1=C(CN2CCOCC2)C(=O)CCC1
InChIInChI=1S/C11H18N2O2.ClH/c12-10-2-1-3-11(14)9(10)8-13-4-6-15-7-5-13;/h1-8,12H2;1H
InChIKeyQYNVRCLBLFDENO-UHFFFAOYSA-N
XLogP0.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride?
The IUPAC name of 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride (CID 19317755) is 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride.
What is the SMILES notation for 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride?
The canonical SMILES for 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride is Cl.NC1=C(CN2CCOCC2)C(=O)CCC1.
What is the InChIKey of 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride?
The InChIKey is QYNVRCLBLFDENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c12-10-2-1-3-11(14)9(10)8-13-4-6-15-7-5-13;/h1-8,12H2;1H.
What are the key properties of 3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride?
3-amino-2-(morpholin-4-ylmethyl)cyclohex-2-en-1-one;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 0.71, 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;hydrochloride is sourced from PubChem (CID 19317755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).