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

C11H14N2O2 — CID 155007524

IUPAC3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
SMILESCNc1cccn(C2[C@H]3COC[C@@H]23)c1=O
InChIInChI=1S/C11H14N2O2/c1-12-9-3-2-4-13(11(9)14)10-7-5-15-6-8(7)10/h2-4,7-8,10,12H,5-6H2,1H3/t7-,8+,10?
InChIKeyHFQRJNFTJFGNGE-JWHQNHQBSA-N
MW206.24 g/mol
LogP0.71
Rot. Bonds2

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

3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one (PubChem CID 155007524) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
PubChem CID155007524
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
SMILESCNc1cccn(C2[C@H]3COC[C@@H]23)c1=O
InChIInChI=1S/C11H14N2O2/c1-12-9-3-2-4-13(11(9)14)10-7-5-15-6-8(7)10/h2-4,7-8,10,12H,5-6H2,1H3/t7-,8+,10?
InChIKeyHFQRJNFTJFGNGE-JWHQNHQBSA-N
XLogP0.71
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-Fluoro-3-(methylamino)-1-(oxan-4-yl)pyridin-2-one
CID 137449461
3-(Methylamino)-1-(oxan-4-yl)pyridin-2-one
CID 137449095
3-(Methylamino)-1-(oxan-3-yl)pyridin-2-one
CID 137449426
tert-butyl N-[1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]carbamate
CID 137450261
3-amino-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
CID 137450530
N-[1,2-Dihydro-2-oxo-1-(tetrahydro-2H-pyran-4-yl)-3-pyridinyl]acetamide
CID 137450905
1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457480
1-(Oxan-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457485
3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
CID 139373545
3-amino-1-[(5R,6S)-1-methyl-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
CID 139373591
3-(methylamino)-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 139390386
Ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one
CID 142523513

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The IUPAC name of 3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one (CID 155007524) is 3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The canonical SMILES for 3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one is CNc1cccn(C2[C@H]3COC[C@@H]23)c1=O.
What is the InChIKey of 3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The InChIKey is HFQRJNFTJFGNGE-JWHQNHQBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12-9-3-2-4-13(11(9)14)10-7-5-15-6-8(7)10/h2-4,7-8,10,12H,5-6H2,1H3/t7-,8+,10?.
What are the key properties of 3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one has a molecular weight of 206.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one is sourced from PubChem (CID 155007524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).