2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

C6H10N2O2 — CID 19602487

IUPAC2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESNCC1COC2CC(=O)N12
InChIInChI=1S/C6H10N2O2/c7-2-4-3-10-6-1-5(9)8(4)6/h4,6H,1-3,7H2
InChIKeyJOIXMEFDERPADX-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.10
Rot. Bonds1

About 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 19602487) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID19602487
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESNCC1COC2CC(=O)N12
InChIInChI=1S/C6H10N2O2/c7-2-4-3-10-6-1-5(9)8(4)6/h4,6H,1-3,7H2
InChIKeyJOIXMEFDERPADX-UHFFFAOYSA-N
XLogP-1.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (CID 19602487) is 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is NCC1COC2CC(=O)N12.
What is the InChIKey of 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is JOIXMEFDERPADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-2-4-3-10-6-1-5(9)8(4)6/h4,6H,1-3,7H2.
What are the key properties of 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 142.16 g/mol, XLogP of -1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 19602487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).