3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one

C12H18N2O2 — CID 137450550

IUPAC3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one
SMILESCO[C@@H]1CCCC[C@@H]1n1cccc(N)c1=O
InChIInChI=1S/C12H18N2O2/c1-16-11-7-3-2-6-10(11)14-8-4-5-9(13)12(14)15/h4-5,8,10-11H,2-3,6-7,13H2,1H3/t10-,11+/m0/s1
InChIKeyIRUGOXVIOFQLEU-WDEREUQCSA-N
MW222.29 g/mol
LogP1.56
Rot. Bonds2

About 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one

3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one (PubChem CID 137450550) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one
PubChem CID137450550
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one
SMILESCO[C@@H]1CCCC[C@@H]1n1cccc(N)c1=O
InChIInChI=1S/C12H18N2O2/c1-16-11-7-3-2-6-10(11)14-8-4-5-9(13)12(14)15/h4-5,8,10-11H,2-3,6-7,13H2,1H3/t10-,11+/m0/s1
InChIKeyIRUGOXVIOFQLEU-WDEREUQCSA-N
XLogP1.56
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one (CID 137450550) is 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one is CO[C@@H]1CCCC[C@@H]1n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one?
The InChIKey is IRUGOXVIOFQLEU-WDEREUQCSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-11-7-3-2-6-10(11)14-8-4-5-9(13)12(14)15/h4-5,8,10-11H,2-3,6-7,13H2,1H3/t10-,11+/m0/s1.
What are the key properties of 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one?
3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one is sourced from PubChem (CID 137450550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).