4,4-bis(prop-2-enyl)morpholin-4-ium chloride

C10H18ClNO — CID 12977404

IUPAC4,4-bis(prop-2-enyl)morpholin-4-ium chloride
SMILESC=CC[N+]1(CC=C)CCOCC1.[Cl-]
InChIInChI=1S/C10H18NO.ClH/c1-3-5-11(6-4-2)7-9-12-10-8-11;/h3-4H,1-2,5-10H2;1H/q+1;/p-1
InChIKeyWLJRDEQZJUDWKH-UHFFFAOYSA-M
MW203.71 g/mol
LogP-1.79
Rot. Bonds4

About 4,4-bis(prop-2-enyl)morpholin-4-ium chloride

4,4-bis(prop-2-enyl)morpholin-4-ium chloride (PubChem CID 12977404) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4,4-bis(prop-2-enyl)morpholin-4-ium chloride.

Molecular Properties

Compound Name4,4-bis(prop-2-enyl)morpholin-4-ium chloride
PubChem CID12977404
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4,4-bis(prop-2-enyl)morpholin-4-ium chloride
SMILESC=CC[N+]1(CC=C)CCOCC1.[Cl-]
InChIInChI=1S/C10H18NO.ClH/c1-3-5-11(6-4-2)7-9-12-10-8-11;/h3-4H,1-2,5-10H2;1H/q+1;/p-1
InChIKeyWLJRDEQZJUDWKH-UHFFFAOYSA-M
XLogP-1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(prop-2-enyl)morpholin-4-ium chloride?
The IUPAC name of 4,4-bis(prop-2-enyl)morpholin-4-ium chloride (CID 12977404) is 4,4-bis(prop-2-enyl)morpholin-4-ium chloride.
What is the SMILES notation for 4,4-bis(prop-2-enyl)morpholin-4-ium chloride?
The canonical SMILES for 4,4-bis(prop-2-enyl)morpholin-4-ium chloride is C=CC[N+]1(CC=C)CCOCC1.[Cl-].
What is the InChIKey of 4,4-bis(prop-2-enyl)morpholin-4-ium chloride?
The InChIKey is WLJRDEQZJUDWKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18NO.ClH/c1-3-5-11(6-4-2)7-9-12-10-8-11;/h3-4H,1-2,5-10H2;1H/q+1;/p-1.
What are the key properties of 4,4-bis(prop-2-enyl)morpholin-4-ium chloride?
4,4-bis(prop-2-enyl)morpholin-4-ium chloride has a molecular weight of 203.71 g/mol, XLogP of -1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(prop-2-enyl)morpholin-4-ium chloride is sourced from PubChem (CID 12977404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).