3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride

C10H19Cl2NO — CID 174780360

IUPAC3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(CC=CCl)CC(C)O.[Cl-]
InChIInChI=1S/C10H19ClNO.ClH/c1-4-7-12(3,8-5-6-11)9-10(2)13;/h4-6,10,13H,1,7-9H2,2-3H3;1H/q+1;/p-1
InChIKeyAVWNVXFHQIQODJ-UHFFFAOYSA-M
MW240.17 g/mol
LogP-1.24
Rot. Bonds6

About 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride

3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride (PubChem CID 174780360) has the molecular formula C10H19Cl2NO and a molecular weight of 240.17 g/mol. Its IUPAC name is 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride.

Molecular Properties

Compound Name3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride
PubChem CID174780360
Molecular FormulaC10H19Cl2NO
Molecular Weight240.17 g/mol
Exact Mass239.08
IUPAC Name3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(CC=CCl)CC(C)O.[Cl-]
InChIInChI=1S/C10H19ClNO.ClH/c1-4-7-12(3,8-5-6-11)9-10(2)13;/h4-6,10,13H,1,7-9H2,2-3H3;1H/q+1;/p-1
InChIKeyAVWNVXFHQIQODJ-UHFFFAOYSA-M
XLogP-1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
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 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride?
The IUPAC name of 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride (CID 174780360) is 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride.
What is the SMILES notation for 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride?
The canonical SMILES for 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride is C=CC[N+](C)(CC=CCl)CC(C)O.[Cl-].
What is the InChIKey of 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride?
The InChIKey is AVWNVXFHQIQODJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19ClNO.ClH/c1-4-7-12(3,8-5-6-11)9-10(2)13;/h4-6,10,13H,1,7-9H2,2-3H3;1H/q+1;/p-1.
What are the key properties of 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride?
3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride has a molecular weight of 240.17 g/mol, XLogP of -1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-2-enyl-(2-hydroxypropyl)-methyl-prop-2-enylazanium chloride is sourced from PubChem (CID 174780360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).