acetyl-dimethyl-(5-oxooxolan-2-yl)azanium

C8H14NO3+ — CID 67737937

IUPACacetyl-dimethyl-(5-oxooxolan-2-yl)azanium
SMILESCC(=O)[N+](C)(C)C1CCC(=O)O1
InChIInChI=1S/C8H14NO3/c1-6(10)9(2,3)7-4-5-8(11)12-7/h7H,4-5H2,1-3H3/q+1
InChIKeyONQDGDLWKOSNOJ-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.27
Rot. Bonds1

About acetyl-dimethyl-(5-oxooxolan-2-yl)azanium

acetyl-dimethyl-(5-oxooxolan-2-yl)azanium (PubChem CID 67737937) has the molecular formula C8H14NO3+ and a molecular weight of 172.20 g/mol. Its IUPAC name is acetyl-dimethyl-(5-oxooxolan-2-yl)azanium.

Molecular Properties

Compound Nameacetyl-dimethyl-(5-oxooxolan-2-yl)azanium
PubChem CID67737937
Molecular FormulaC8H14NO3+
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Nameacetyl-dimethyl-(5-oxooxolan-2-yl)azanium
SMILESCC(=O)[N+](C)(C)C1CCC(=O)O1
InChIInChI=1S/C8H14NO3/c1-6(10)9(2,3)7-4-5-8(11)12-7/h7H,4-5H2,1-3H3/q+1
InChIKeyONQDGDLWKOSNOJ-UHFFFAOYSA-N
XLogP0.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-prop-1-en-2-yloxolan-2-one
CID 12914394
5-acetyloxolan-2-one;oxolan-2-one
CID 70146816
2-methyl-3-(5-oxooxolan-2-yl)prop-2-enoic acid
CID 66720876
5-methyloxolan-2-one
CID 69397003
N-[(5-oxooxolan-2-yl)methyl]acetamide
CID 533856
methyl 5-oxooxolane-2-carboxylate
CID 558879
5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one
CID 13416543
methyl (E)-2-methyl-3-(5-oxooxolan-2-yl)prop-2-enoate
CID 57482875
5-(1-iodoethyl)oxolan-2-one
CID 101198694
(5S)-5-(2-hydroxypropan-2-yl)oxolan-2-one
CID 12872230
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
methyl N-(5-oxooxolan-2-yl)carbamate
CID 10511146

Frequently Asked Questions

What is the IUPAC name of acetyl-dimethyl-(5-oxooxolan-2-yl)azanium?
The IUPAC name of acetyl-dimethyl-(5-oxooxolan-2-yl)azanium (CID 67737937) is acetyl-dimethyl-(5-oxooxolan-2-yl)azanium.
What is the SMILES notation for acetyl-dimethyl-(5-oxooxolan-2-yl)azanium?
The canonical SMILES for acetyl-dimethyl-(5-oxooxolan-2-yl)azanium is CC(=O)[N+](C)(C)C1CCC(=O)O1.
What is the InChIKey of acetyl-dimethyl-(5-oxooxolan-2-yl)azanium?
The InChIKey is ONQDGDLWKOSNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO3/c1-6(10)9(2,3)7-4-5-8(11)12-7/h7H,4-5H2,1-3H3/q+1.
What are the key properties of acetyl-dimethyl-(5-oxooxolan-2-yl)azanium?
acetyl-dimethyl-(5-oxooxolan-2-yl)azanium has a molecular weight of 172.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-dimethyl-(5-oxooxolan-2-yl)azanium is sourced from PubChem (CID 67737937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).