3-(aminomethyl)-3-methyloxolan-2-one

C6H11NO2 — CID 90431319

IUPAC3-(aminomethyl)-3-methyloxolan-2-one
SMILESCC1(CN)CCOC1=O
InChIInChI=1S/C6H11NO2/c1-6(4-7)2-3-9-5(6)8/h2-4,7H2,1H3
InChIKeyWUFONDNKHQTOEB-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.10
Rot. Bonds1

About 3-(aminomethyl)-3-methyloxolan-2-one

3-(aminomethyl)-3-methyloxolan-2-one (PubChem CID 90431319) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-3-methyloxolan-2-one
PubChem CID90431319
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-(aminomethyl)-3-methyloxolan-2-one
SMILESCC1(CN)CCOC1=O
InChIInChI=1S/C6H11NO2/c1-6(4-7)2-3-9-5(6)8/h2-4,7H2,1H3
InChIKeyWUFONDNKHQTOEB-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methyloxolan-2-one?
The IUPAC name of 3-(aminomethyl)-3-methyloxolan-2-one (CID 90431319) is 3-(aminomethyl)-3-methyloxolan-2-one.
What is the SMILES notation for 3-(aminomethyl)-3-methyloxolan-2-one?
The canonical SMILES for 3-(aminomethyl)-3-methyloxolan-2-one is CC1(CN)CCOC1=O.
What is the InChIKey of 3-(aminomethyl)-3-methyloxolan-2-one?
The InChIKey is WUFONDNKHQTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(4-7)2-3-9-5(6)8/h2-4,7H2,1H3.
What are the key properties of 3-(aminomethyl)-3-methyloxolan-2-one?
3-(aminomethyl)-3-methyloxolan-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 90431319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).