dimethyl-bis(prop-2-enyl)azanium acetate

C10H19NO2 — CID 18790939

IUPACdimethyl-bis(prop-2-enyl)azanium acetate
SMILESC=CC[N+](C)(C)CC=C.CC(=O)[O-]
InChIInChI=1S/C8H16N.C2H4O2/c1-5-7-9(3,4)8-6-2;1-2(3)4/h5-6H,1-2,7-8H2,3-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyMKIAKUBELFLGCJ-UHFFFAOYSA-M
MW185.27 g/mol
LogP0.19
Rot. Bonds4

About dimethyl-bis(prop-2-enyl)azanium acetate

dimethyl-bis(prop-2-enyl)azanium acetate (PubChem CID 18790939) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium acetate.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium acetate
PubChem CID18790939
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namedimethyl-bis(prop-2-enyl)azanium acetate
SMILESC=CC[N+](C)(C)CC=C.CC(=O)[O-]
InChIInChI=1S/C8H16N.C2H4O2/c1-5-7-9(3,4)8-6-2;1-2(3)4/h5-6H,1-2,7-8H2,3-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyMKIAKUBELFLGCJ-UHFFFAOYSA-M
XLogP0.19
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(prop-2-enyl)azanium acetate?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium acetate (CID 18790939) is dimethyl-bis(prop-2-enyl)azanium acetate.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium acetate?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium acetate is C=CC[N+](C)(C)CC=C.CC(=O)[O-].
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium acetate?
The InChIKey is MKIAKUBELFLGCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.C2H4O2/c1-5-7-9(3,4)8-6-2;1-2(3)4/h5-6H,1-2,7-8H2,3-4H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium acetate?
dimethyl-bis(prop-2-enyl)azanium acetate has a molecular weight of 185.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium acetate is sourced from PubChem (CID 18790939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).