2-ethenylmorpholine;hydrochloride

C6H12ClNO — CID 46741253

IUPAC2-ethenylmorpholine;hydrochloride
SMILESC=CC1CNCCO1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-5-7-3-4-8-6;/h2,6-7H,1,3-5H2;1H
InChIKeyNSEJVSPXIWMQPQ-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.58
Rot. Bonds1

About 2-ethenylmorpholine;hydrochloride

2-ethenylmorpholine;hydrochloride (PubChem CID 46741253) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-ethenylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-ethenylmorpholine;hydrochloride
PubChem CID46741253
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-ethenylmorpholine;hydrochloride
SMILESC=CC1CNCCO1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-5-7-3-4-8-6;/h2,6-7H,1,3-5H2;1H
InChIKeyNSEJVSPXIWMQPQ-UHFFFAOYSA-N
XLogP0.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylmorpholine;hydrochloride?
The IUPAC name of 2-ethenylmorpholine;hydrochloride (CID 46741253) is 2-ethenylmorpholine;hydrochloride.
What is the SMILES notation for 2-ethenylmorpholine;hydrochloride?
The canonical SMILES for 2-ethenylmorpholine;hydrochloride is C=CC1CNCCO1.Cl.
What is the InChIKey of 2-ethenylmorpholine;hydrochloride?
The InChIKey is NSEJVSPXIWMQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-6-5-7-3-4-8-6;/h2,6-7H,1,3-5H2;1H.
What are the key properties of 2-ethenylmorpholine;hydrochloride?
2-ethenylmorpholine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylmorpholine;hydrochloride is sourced from PubChem (CID 46741253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).