trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium

C10H18NO2+ — CID 87588648

IUPACtrimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
SMILESC=CC(OC(=O)C(=C)C)[N+](C)(C)C
InChIInChI=1S/C10H18NO2/c1-7-9(11(4,5)6)13-10(12)8(2)3/h7,9H,1-2H2,3-6H3/q+1
InChIKeyONEBOGJDFVSCMJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.32
Rot. Bonds4

About trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium

trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium (PubChem CID 87588648) has the molecular formula C10H18NO2+ and a molecular weight of 184.26 g/mol. Its IUPAC name is trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium.

Molecular Properties

Compound Nametrimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
PubChem CID87588648
Molecular FormulaC10H18NO2+
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Nametrimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
SMILESC=CC(OC(=O)C(=C)C)[N+](C)(C)C
InChIInChI=1S/C10H18NO2/c1-7-9(11(4,5)6)13-10(12)8(2)3/h7,9H,1-2H2,3-6H3/q+1
InChIKeyONEBOGJDFVSCMJ-UHFFFAOYSA-N
XLogP1.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.32
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'}

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Related Compounds

1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate
CID 87514623
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(2-methylprop-2-enoyloxy)prop-2-ene-1-sulfonic acid
CID 87647233
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium
CID 23178940
1-(prop-2-enylamino)prop-2-enyl 2-methylprop-2-enoate
CID 87097761
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium?
The IUPAC name of trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium (CID 87588648) is trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium.
What is the SMILES notation for trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium?
The canonical SMILES for trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium is C=CC(OC(=O)C(=C)C)[N+](C)(C)C.
What is the InChIKey of trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium?
The InChIKey is ONEBOGJDFVSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO2/c1-7-9(11(4,5)6)13-10(12)8(2)3/h7,9H,1-2H2,3-6H3/q+1.
What are the key properties of trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium?
trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium has a molecular weight of 184.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium is sourced from PubChem (CID 87588648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).