benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium

C17H24NO2+ — CID 174548375

IUPACbenzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium
SMILESC=CC[N+](C)(Cc1ccccc1)C(CC)OC(=O)C=C
InChIInChI=1S/C17H24NO2/c1-5-13-18(4,14-15-11-9-8-10-12-15)16(6-2)20-17(19)7-3/h5,7-12,16H,1,3,6,13-14H2,2,4H3/q+1
InChIKeyHRUDVAHXASMSAI-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.28
Rot. Bonds8

About benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium

benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium (PubChem CID 174548375) has the molecular formula C17H24NO2+ and a molecular weight of 274.38 g/mol. Its IUPAC name is benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium.

Molecular Properties

Compound Namebenzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium
PubChem CID174548375
Molecular FormulaC17H24NO2+
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Namebenzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium
SMILESC=CC[N+](C)(Cc1ccccc1)C(CC)OC(=O)C=C
InChIInChI=1S/C17H24NO2/c1-5-13-18(4,14-15-11-9-8-10-12-15)16(6-2)20-17(19)7-3/h5,7-12,16H,1,3,6,13-14H2,2,4H3/q+1
InChIKeyHRUDVAHXASMSAI-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium 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

benzyl-dimethyl-(1-prop-2-enoyloxypropyl)azanium
CID 174601755
benzyl-diethyl-(2-prop-2-enoyloxypropyl)azanium
CID 3022823
benzyl-methyl-(2-prop-2-enoyloxybutan-2-yl)-prop-2-enylazanium chloride
CID 174550914
trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
CID 87225118
benzyl-diethyl-prop-2-enoyloxyazanium
CID 175405190
(S)-benzyl-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-methyl-prop-2-enylazanium bromide
CID 139075132
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
CID 174728082
benzyl-ethyl-methyl-(3-prop-2-enoyloxypropyl)azanium iodide
CID 141382703
chloromethane;ethyl-dimethyl-[phenyl(prop-2-enoyloxy)methyl]azanium
CID 158829603
benzyl-diethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 142745009
benzyl-methyl-(methylamino)-[methyl(prop-2-enoyloxy)amino]azanium
CID 176657640

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium?
The IUPAC name of benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium (CID 174548375) is benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium.
What is the SMILES notation for benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium?
The canonical SMILES for benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium is C=CC[N+](C)(Cc1ccccc1)C(CC)OC(=O)C=C.
What is the InChIKey of benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium?
The InChIKey is HRUDVAHXASMSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24NO2/c1-5-13-18(4,14-15-11-9-8-10-12-15)16(6-2)20-17(19)7-3/h5,7-12,16H,1,3,6,13-14H2,2,4H3/q+1.
What are the key properties of benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium?
benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium has a molecular weight of 274.38 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium is sourced from PubChem (CID 174548375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).