3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one

C11H14N2O2 — CID 139373591

IUPAC3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
SMILESCC12COC[C@H]1[C@@H]2n1cccc(N)c1=O
InChIInChI=1S/C11H14N2O2/c1-11-6-15-5-7(11)9(11)13-4-2-3-8(12)10(13)14/h2-4,7,9H,5-6,12H2,1H3/t7-,9-,11?/m0/s1
InChIKeyIQHMQBSSXSCRHH-ITAJPAFDSA-N
MW206.24 g/mol
LogP0.64
Rot. Bonds1

About 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one

3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one (PubChem CID 139373591) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
PubChem CID139373591
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
SMILESCC12COC[C@H]1[C@@H]2n1cccc(N)c1=O
InChIInChI=1S/C11H14N2O2/c1-11-6-15-5-7(11)9(11)13-4-2-3-8(12)10(13)14/h2-4,7,9H,5-6,12H2,1H3/t7-,9-,11?/m0/s1
InChIKeyIQHMQBSSXSCRHH-ITAJPAFDSA-N
XLogP0.64
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one (CID 139373591) is 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one is CC12COC[C@H]1[C@@H]2n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The InChIKey is IQHMQBSSXSCRHH-ITAJPAFDSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11-6-15-5-7(11)9(11)13-4-2-3-8(12)10(13)14/h2-4,7,9H,5-6,12H2,1H3/t7-,9-,11?/m0/s1.
What are the key properties of 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one has a molecular weight of 206.24 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one is sourced from PubChem (CID 139373591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).