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

C15H22N2O3 — CID 177331023

IUPAC3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
SMILESCC(C)COCc1cc(N)c(=O)n(C2[C@H]3COC[C@@H]23)c1
InChIInChI=1S/C15H22N2O3/c1-9(2)5-19-6-10-3-13(16)15(18)17(4-10)14-11-7-20-8-12(11)14/h3-4,9,11-12,14H,5-8,16H2,1-2H3/t11-,12+,14?
InChIKeySLMLDYSHOQZZSU-ONXXMXGDSA-N
MW278.35 g/mol
LogP1.42
Rot. Bonds5

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

3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one (PubChem CID 177331023) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
PubChem CID177331023
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one
SMILESCC(C)COCc1cc(N)c(=O)n(C2[C@H]3COC[C@@H]23)c1
InChIInChI=1S/C15H22N2O3/c1-9(2)5-19-6-10-3-13(16)15(18)17(4-10)14-11-7-20-8-12(11)14/h3-4,9,11-12,14H,5-8,16H2,1-2H3/t11-,12+,14?
InChIKeySLMLDYSHOQZZSU-ONXXMXGDSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The IUPAC name of 3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one (CID 177331023) is 3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The canonical SMILES for 3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one is CC(C)COCc1cc(N)c(=O)n(C2[C@H]3COC[C@@H]23)c1.
What is the InChIKey of 3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
The InChIKey is SLMLDYSHOQZZSU-ONXXMXGDSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)5-19-6-10-3-13(16)15(18)17(4-10)14-11-7-20-8-12(11)14/h3-4,9,11-12,14H,5-8,16H2,1-2H3/t11-,12+,14?.
What are the key properties of 3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one?
3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylpropoxymethyl)-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-one is sourced from PubChem (CID 177331023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).