4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride

C9H18ClNO — CID 23062108

IUPAC4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride
SMILESC=C(C)C[N+]1(C)CCOCC1.[Cl-]
InChIInChI=1S/C9H18NO.ClH/c1-9(2)8-10(3)4-6-11-7-5-10;/h1,4-8H2,2-3H3;1H/q+1;/p-1
InChIKeyNBHCRYCVPFNXKQ-UHFFFAOYSA-M
MW191.70 g/mol
LogP-1.96
Rot. Bonds2

About 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride

4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride (PubChem CID 23062108) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride.

Molecular Properties

Compound Name4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride
PubChem CID23062108
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride
SMILESC=C(C)C[N+]1(C)CCOCC1.[Cl-]
InChIInChI=1S/C9H18NO.ClH/c1-9(2)8-10(3)4-6-11-7-5-10;/h1,4-8H2,2-3H3;1H/q+1;/p-1
InChIKeyNBHCRYCVPFNXKQ-UHFFFAOYSA-M
XLogP-1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride?
The IUPAC name of 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride (CID 23062108) is 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride.
What is the SMILES notation for 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride?
The canonical SMILES for 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride is C=C(C)C[N+]1(C)CCOCC1.[Cl-].
What is the InChIKey of 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride?
The InChIKey is NBHCRYCVPFNXKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO.ClH/c1-9(2)8-10(3)4-6-11-7-5-10;/h1,4-8H2,2-3H3;1H/q+1;/p-1.
What are the key properties of 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride?
4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride has a molecular weight of 191.70 g/mol, XLogP of -1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride is sourced from PubChem (CID 23062108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).