(1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one

C6H10N2O — CID 76764144

IUPAC(1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one
SMILESN[C@]12CC(=O)NC[C@H]1C2
InChIInChI=1S/C6H10N2O/c7-6-1-4(6)3-8-5(9)2-6/h4H,1-3,7H2,(H,8,9)/t4-,6-/m1/s1
InChIKeyOFBRMYMFOBMWIE-INEUFUBQSA-N
MW126.16 g/mol
LogP-0.78
Rot. Bonds

About (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one

(1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one (PubChem CID 76764144) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one.

Molecular Properties

Compound Name(1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one
PubChem CID76764144
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one
SMILESN[C@]12CC(=O)NC[C@H]1C2
InChIInChI=1S/C6H10N2O/c7-6-1-4(6)3-8-5(9)2-6/h4H,1-3,7H2,(H,8,9)/t4-,6-/m1/s1
InChIKeyOFBRMYMFOBMWIE-INEUFUBQSA-N
XLogP-0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one?
The IUPAC name of (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one (CID 76764144) is (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one.
What is the SMILES notation for (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one?
The canonical SMILES for (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one is N[C@]12CC(=O)NC[C@H]1C2.
What is the InChIKey of (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one?
The InChIKey is OFBRMYMFOBMWIE-INEUFUBQSA-N. The full InChI is InChI=1S/C6H10N2O/c7-6-1-4(6)3-8-5(9)2-6/h4H,1-3,7H2,(H,8,9)/t4-,6-/m1/s1.
What are the key properties of (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one?
(1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one has a molecular weight of 126.16 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-amino-3-azabicyclo[4.1.0]heptan-4-one is sourced from PubChem (CID 76764144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).