dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride

C7H15ClN2O4 — CID 174453609

IUPACdimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride
SMILESC=CC(=O)NCO[N+](C)(OC)OC.[Cl-]
InChIInChI=1S/C7H14N2O4.ClH/c1-5-7(10)8-6-13-9(2,11-3)12-4;/h5H,1,6H2,2-4H3;1H
InChIKeyZHNZPBQSAMWBNA-UHFFFAOYSA-N
MW226.66 g/mol
LogP-3.25
Rot. Bonds6

About dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride

dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride (PubChem CID 174453609) has the molecular formula C7H15ClN2O4 and a molecular weight of 226.66 g/mol. Its IUPAC name is dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride.

Molecular Properties

Compound Namedimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride
PubChem CID174453609
Molecular FormulaC7H15ClN2O4
Molecular Weight226.66 g/mol
Exact Mass226.07
IUPAC Namedimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride
SMILESC=CC(=O)NCO[N+](C)(OC)OC.[Cl-]
InChIInChI=1S/C7H14N2O4.ClH/c1-5-7(10)8-6-13-9(2,11-3)12-4;/h5H,1,6H2,2-4H3;1H
InChIKeyZHNZPBQSAMWBNA-UHFFFAOYSA-N
XLogP-3.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 5-3.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
CID 161490642
tris[(prop-2-enoylamino)methyl] phosphate
CID 158064105
methyl-tris(prop-2-enyl)azanium;N-[(prop-2-enoylamino)methyl]prop-2-enamide;chloride
CID 23434977
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
chloroethene;N-(hydroxymethyl)prop-2-enamide;methyl prop-2-enoate;prop-2-enoic acid
CID 6455007
N-[[(E)-but-1-enoxy]methyl]prop-2-enamide
CID 23172057
azanium;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;dichloride
CID 158028847
triethyl-[(prop-2-enoylamino)methyl]azanium chloride
CID 87449058
trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium
CID 174542522
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
CID 173161904
CID 173161904
N-(2-methoxysilylethyl)prop-2-enamide
CID 123735107

Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride?
The IUPAC name of dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride (CID 174453609) is dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride.
What is the SMILES notation for dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride?
The canonical SMILES for dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride is C=CC(=O)NCO[N+](C)(OC)OC.[Cl-].
What is the InChIKey of dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride?
The InChIKey is ZHNZPBQSAMWBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4.ClH/c1-5-7(10)8-6-13-9(2,11-3)12-4;/h5H,1,6H2,2-4H3;1H.
What are the key properties of dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride?
dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride has a molecular weight of 226.66 g/mol, XLogP of -3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride is sourced from PubChem (CID 174453609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).