methyl(3-prop-2-enoyloxypropyl)azanium

C7H14NO2+ — CID 18325516

IUPACmethyl(3-prop-2-enoyloxypropyl)azanium
SMILESC=CC(=O)OCCC[NH2+]C
InChIInChI=1S/C7H13NO2/c1-3-7(9)10-6-4-5-8-2/h3,8H,1,4-6H2,2H3/p+1
InChIKeyJSQODGWTXGANKP-UHFFFAOYSA-O
MW144.19 g/mol
LogP-0.70
Rot. Bonds5

About methyl(3-prop-2-enoyloxypropyl)azanium

methyl(3-prop-2-enoyloxypropyl)azanium (PubChem CID 18325516) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is methyl(3-prop-2-enoyloxypropyl)azanium.

Molecular Properties

Compound Namemethyl(3-prop-2-enoyloxypropyl)azanium
PubChem CID18325516
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Namemethyl(3-prop-2-enoyloxypropyl)azanium
SMILESC=CC(=O)OCCC[NH2+]C
InChIInChI=1S/C7H13NO2/c1-3-7(9)10-6-4-5-8-2/h3,8H,1,4-6H2,2H3/p+1
InChIKeyJSQODGWTXGANKP-UHFFFAOYSA-O
XLogP-0.70
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl(3-prop-2-enoyloxypropyl)azanium?
The IUPAC name of methyl(3-prop-2-enoyloxypropyl)azanium (CID 18325516) is methyl(3-prop-2-enoyloxypropyl)azanium.
What is the SMILES notation for methyl(3-prop-2-enoyloxypropyl)azanium?
The canonical SMILES for methyl(3-prop-2-enoyloxypropyl)azanium is C=CC(=O)OCCC[NH2+]C.
What is the InChIKey of methyl(3-prop-2-enoyloxypropyl)azanium?
The InChIKey is JSQODGWTXGANKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c1-3-7(9)10-6-4-5-8-2/h3,8H,1,4-6H2,2H3/p+1.
What are the key properties of methyl(3-prop-2-enoyloxypropyl)azanium?
methyl(3-prop-2-enoyloxypropyl)azanium has a molecular weight of 144.19 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(3-prop-2-enoyloxypropyl)azanium is sourced from PubChem (CID 18325516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).