2-(2-methylprop-2-enoyloxy)propoxyazanium chloride

C7H14ClNO3 — CID 19386098

IUPAC2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
SMILESC=C(C)C(=O)OC(C)CO[NH3+].[Cl-]
InChIInChI=1S/C7H14NO3.ClH/c1-5(2)7(9)11-6(3)4-10-8;/h6H,1,4H2,2-3,8H3;1H/q+1;/p-1
InChIKeyJJLRUFHIHHSYGL-UHFFFAOYSA-M
MW195.65 g/mol
LogP-3.33
Rot. Bonds4

About 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride

2-(2-methylprop-2-enoyloxy)propoxyazanium chloride (PubChem CID 19386098) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
PubChem CID19386098
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
SMILESC=C(C)C(=O)OC(C)CO[NH3+].[Cl-]
InChIInChI=1S/C7H14NO3.ClH/c1-5(2)7(9)11-6(3)4-10-8;/h6H,1,4H2,2-3,8H3;1H/q+1;/p-1
InChIKeyJJLRUFHIHHSYGL-UHFFFAOYSA-M
XLogP-3.33
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-3.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639
1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate
CID 139653960
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 19734689
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
2-[[2-(2-methylprop-2-enoyloxy)propoxycarbonylamino]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 54028946
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate
CID 91261789

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride (CID 19386098) is 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride is C=C(C)C(=O)OC(C)CO[NH3+].[Cl-].
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride?
The InChIKey is JJLRUFHIHHSYGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14NO3.ClH/c1-5(2)7(9)11-6(3)4-10-8;/h6H,1,4H2,2-3,8H3;1H/q+1;/p-1.
What are the key properties of 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride?
2-(2-methylprop-2-enoyloxy)propoxyazanium chloride has a molecular weight of 195.65 g/mol, XLogP of -3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)propoxyazanium chloride is sourced from PubChem (CID 19386098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).