3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one

C8H10N2O2 — CID 83863438

IUPAC3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one
SMILESCNCc1noc2c1C(=O)CC2
InChIInChI=1S/C8H10N2O2/c1-9-4-5-8-6(11)2-3-7(8)12-10-5/h9H,2-4H2,1H3
InChIKeyQPMCKMWGBJKMFP-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.52
Rot. Bonds2

About 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one

3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one (PubChem CID 83863438) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one.

Molecular Properties

Compound Name3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one
PubChem CID83863438
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one
SMILESCNCc1noc2c1C(=O)CC2
InChIInChI=1S/C8H10N2O2/c1-9-4-5-8-6(11)2-3-7(8)12-10-5/h9H,2-4H2,1H3
InChIKeyQPMCKMWGBJKMFP-UHFFFAOYSA-N
XLogP0.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one?
The IUPAC name of 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one (CID 83863438) is 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one.
What is the SMILES notation for 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one?
The canonical SMILES for 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one is CNCc1noc2c1C(=O)CC2.
What is the InChIKey of 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one?
The InChIKey is QPMCKMWGBJKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-9-4-5-8-6(11)2-3-7(8)12-10-5/h9H,2-4H2,1H3.
What are the key properties of 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one?
3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one has a molecular weight of 166.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one is sourced from PubChem (CID 83863438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).