prop-2-enoate;bis(tetramethylazanium);nitrate

C11H27N3O5 — CID 139744908

IUPACprop-2-enoate;bis(tetramethylazanium);nitrate
SMILESC=CC(=O)[O-].C[N+](C)(C)C.C[N+](C)(C)C.O=[N+]([O-])[O-]
InChIInChI=1S/2C4H12N.C3H4O2.NO3/c2*1-5(2,3)4;1-2-3(4)5;2-1(3)4/h2*1-4H3;2H,1H2,(H,4,5);/q2*+1;;-1/p-1
InChIKeyZCGJPYCTYOGCAM-UHFFFAOYSA-M
MW281.35 g/mol
LogP-0.67
Rot. Bonds1

About prop-2-enoate;bis(tetramethylazanium);nitrate

prop-2-enoate;bis(tetramethylazanium);nitrate (PubChem CID 139744908) has the molecular formula C11H27N3O5 and a molecular weight of 281.35 g/mol. Its IUPAC name is prop-2-enoate;bis(tetramethylazanium);nitrate.

Molecular Properties

Compound Nameprop-2-enoate;bis(tetramethylazanium);nitrate
PubChem CID139744908
Molecular FormulaC11H27N3O5
Molecular Weight281.35 g/mol
Exact Mass281.20
IUPAC Nameprop-2-enoate;bis(tetramethylazanium);nitrate
SMILESC=CC(=O)[O-].C[N+](C)(C)C.C[N+](C)(C)C.O=[N+]([O-])[O-]
InChIInChI=1S/2C4H12N.C3H4O2.NO3/c2*1-5(2,3)4;1-2-3(4)5;2-1(3)4/h2*1-4H3;2H,1H2,(H,4,5);/q2*+1;;-1/p-1
InChIKeyZCGJPYCTYOGCAM-UHFFFAOYSA-M
XLogP-0.67
TPSA106.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)
CID 158693664
prop-2-enoate;tin(4+)
CID 22321076
europium(2+);bis(prop-2-enoate)
CID 19816716
cobalt(2+);prop-2-enoate
CID 22476955
barium(2+);lead(2+);tetrakis(prop-2-enoate)
CID 159431498
aluminum;bis(prop-2-enoate);chloride
CID 175698276
sodium;prop-2-enoic acid;nitrate
CID 175070026
lithium;cobalt(2+);hydride;bis(prop-2-enoate)
CID 173125641
prop-2-enoate;bis(trimethyl(propyl)azanium);chloride
CID 161434994
sodium;methyl prop-2-enoate;prop-2-enoate
CID 174422946
(E)-but-2-enedioate;chromium(3+);nitrate
CID 138394845
prop-2-enoate sulfate
CID 18971000

Frequently Asked Questions

What is the IUPAC name of prop-2-enoate;bis(tetramethylazanium);nitrate?
The IUPAC name of prop-2-enoate;bis(tetramethylazanium);nitrate (CID 139744908) is prop-2-enoate;bis(tetramethylazanium);nitrate.
What is the SMILES notation for prop-2-enoate;bis(tetramethylazanium);nitrate?
The canonical SMILES for prop-2-enoate;bis(tetramethylazanium);nitrate is C=CC(=O)[O-].C[N+](C)(C)C.C[N+](C)(C)C.O=[N+]([O-])[O-].
What is the InChIKey of prop-2-enoate;bis(tetramethylazanium);nitrate?
The InChIKey is ZCGJPYCTYOGCAM-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H12N.C3H4O2.NO3/c2*1-5(2,3)4;1-2-3(4)5;2-1(3)4/h2*1-4H3;2H,1H2,(H,4,5);/q2*+1;;-1/p-1.
What are the key properties of prop-2-enoate;bis(tetramethylazanium);nitrate?
prop-2-enoate;bis(tetramethylazanium);nitrate has a molecular weight of 281.35 g/mol, XLogP of -0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoate;bis(tetramethylazanium);nitrate is sourced from PubChem (CID 139744908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).