1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one

C10H14N2O2 — CID 137449559

IUPAC1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@@H]2C[C@H]2OC)c1=O
InChIInChI=1S/C10H14N2O2/c1-11-7-4-3-5-12(10(7)13)8-6-9(8)14-2/h3-5,8-9,11H,6H2,1-2H3/t8-,9-/m1/s1
InChIKeyRWUWAIPCJUGACH-RKDXNWHRSA-N
MW194.23 g/mol
LogP0.85
Rot. Bonds3

About 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one

1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one (PubChem CID 137449559) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one
PubChem CID137449559
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@@H]2C[C@H]2OC)c1=O
InChIInChI=1S/C10H14N2O2/c1-11-7-4-3-5-12(10(7)13)8-6-9(8)14-2/h3-5,8-9,11H,6H2,1-2H3/t8-,9-/m1/s1
InChIKeyRWUWAIPCJUGACH-RKDXNWHRSA-N
XLogP0.85
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one (CID 137449559) is 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@@H]2C[C@H]2OC)c1=O.
What is the InChIKey of 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one?
The InChIKey is RWUWAIPCJUGACH-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-11-7-4-3-5-12(10(7)13)8-6-9(8)14-2/h3-5,8-9,11H,6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one?
1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).