4-ethyl-4-prop-2-enylmorpholin-4-ium chloride

C9H18ClNO — CID 139075365

IUPAC4-ethyl-4-prop-2-enylmorpholin-4-ium chloride
SMILESC=CC[N+]1(CC)CCOCC1.[Cl-]
InChIInChI=1S/C9H18NO.ClH/c1-3-5-10(4-2)6-8-11-9-7-10;/h3H,1,4-9H2,2H3;1H/q+1;/p-1
InChIKeyUMVNRLXVUPFWAQ-UHFFFAOYSA-M
MW191.70 g/mol
LogP-1.96
Rot. Bonds3

About 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride

4-ethyl-4-prop-2-enylmorpholin-4-ium chloride (PubChem CID 139075365) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride.

Molecular Properties

Compound Name4-ethyl-4-prop-2-enylmorpholin-4-ium chloride
PubChem CID139075365
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-ethyl-4-prop-2-enylmorpholin-4-ium chloride
SMILESC=CC[N+]1(CC)CCOCC1.[Cl-]
InChIInChI=1S/C9H18NO.ClH/c1-3-5-10(4-2)6-8-11-9-7-10;/h3H,1,4-9H2,2H3;1H/q+1;/p-1
InChIKeyUMVNRLXVUPFWAQ-UHFFFAOYSA-M
XLogP-1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 5-1.96
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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Related Compounds

Allylmorpholine
CID 136522
N,N-diallylmorpholinium bromide
CID 11831774
Morpholine, 4-(3-pentyloxyallyl)-
CID 5354209
4,4-Bis(prop-2-enyl)morpholin-4-ium
CID 3143098
4-Methyl-4-(prop-2-en-1-yl)morpholin-4-ium
CID 18617911
1-Morpolino-2,3-butadiene
CID 567704
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-[(Z)-but-2-enyl]morpholine
CID 11768672
Morpholine, 4-(1-methyl-2-propenyl)-
CID 12243759
Morpholine, 4-(3-methyl-2-butenyl)-
CID 12585158
N,N-diallylmorpholinium chloride
CID 12977404
n-Allyl-n-methylmorpholinium bromide
CID 18617910

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride?
The IUPAC name of 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride (CID 139075365) is 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride.
What is the SMILES notation for 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride?
The canonical SMILES for 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride is C=CC[N+]1(CC)CCOCC1.[Cl-].
What is the InChIKey of 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride?
The InChIKey is UMVNRLXVUPFWAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO.ClH/c1-3-5-10(4-2)6-8-11-9-7-10;/h3H,1,4-9H2,2H3;1H/q+1;/p-1.
What are the key properties of 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride?
4-ethyl-4-prop-2-enylmorpholin-4-ium chloride has a molecular weight of 191.70 g/mol, XLogP of -1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-prop-2-enylmorpholin-4-ium chloride is sourced from PubChem (CID 139075365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).