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

C10H12N2O2 — CID 137450530

IUPAC3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
SMILESNc1cccn(C2[C@H]3COC[C@@H]23)c1=O
InChIInChI=1S/C10H12N2O2/c11-8-2-1-3-12(10(8)13)9-6-4-14-5-7(6)9/h1-3,6-7,9H,4-5,11H2/t6-,7+,9?
InChIKeyMCGFIRZCWJIJAK-AVSFMBPQSA-N
MW192.22 g/mol
LogP0.25
Rot. Bonds1

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

3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one (PubChem CID 137450530) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
PubChem CID137450530
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
SMILESNc1cccn(C2[C@H]3COC[C@@H]23)c1=O
InChIInChI=1S/C10H12N2O2/c11-8-2-1-3-12(10(8)13)9-6-4-14-5-7(6)9/h1-3,6-7,9H,4-5,11H2/t6-,7+,9?
InChIKeyMCGFIRZCWJIJAK-AVSFMBPQSA-N
XLogP0.25
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-Amino-1-(oxan-4-yl)-1,2-dihydropyridin-2-one
CID 86277101
(R)-3-Amino-1-(tetrahydro-2H-pyran-3-yl)pyridin-2(1H)-one
CID 137441431
3-Amino-1-(oxan-3-yl)-1,2-dihydropyridin-2-one
CID 137441433
(S)-3-Amino-1-(tetrahydro-2H-pyran-3-yl)pyridin-2(1H)-one
CID 137441550
tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450261
1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457480
3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
CID 139373591
3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
CID 155007524
3-Amino-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one
CID 157041657
3-Amino-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one
CID 157041777
3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
CID 177331023
5-Amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one
CID 55226806

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one (CID 137450530) is 3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one is Nc1cccn(C2[C@H]3COC[C@@H]23)c1=O.
What is the InChIKey of 3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The InChIKey is MCGFIRZCWJIJAK-AVSFMBPQSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-8-2-1-3-12(10(8)13)9-6-4-14-5-7(6)9/h1-3,6-7,9H,4-5,11H2/t6-,7+,9?.
What are the key properties of 3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one is sourced from PubChem (CID 137450530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).