dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium

C8H16NO+ — CID 87381029

IUPACdimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CC1CO1
InChIInChI=1S/C8H16NO/c1-4-5-9(2,3)6-8-7-10-8/h4,8H,1,5-7H2,2-3H3/q+1
InChIKeyCETMNPXGUVAMBR-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.65
Rot. Bonds4

About dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium

dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium (PubChem CID 87381029) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium.

Molecular Properties

Compound Namedimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium
PubChem CID87381029
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Namedimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CC1CO1
InChIInChI=1S/C8H16NO/c1-4-5-9(2,3)6-8-7-10-8/h4,8H,1,5-7H2,2-3H3/q+1
InChIKeyCETMNPXGUVAMBR-UHFFFAOYSA-N
XLogP0.65
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium?
The IUPAC name of dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium (CID 87381029) is dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium.
What is the SMILES notation for dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium?
The canonical SMILES for dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium is C=CC[N+](C)(C)CC1CO1.
What is the InChIKey of dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium?
The InChIKey is CETMNPXGUVAMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-4-5-9(2,3)6-8-7-10-8/h4,8H,1,5-7H2,2-3H3/q+1.
What are the key properties of dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium?
dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium has a molecular weight of 142.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium is sourced from PubChem (CID 87381029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).