3-[(cyclopropylamino)methyl]-1H-pyridin-2-one

C9H12N2O — CID 82527356

IUPAC3-[(cyclopropylamino)methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CNC1CC1
InChIInChI=1S/C9H12N2O/c12-9-7(2-1-5-10-9)6-11-8-3-4-8/h1-2,5,8,11H,3-4,6H2,(H,10,12)
InChIKeyAHWYXRDMUAACME-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.63
Rot. Bonds3

About 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one

3-[(cyclopropylamino)methyl]-1H-pyridin-2-one (PubChem CID 82527356) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-1H-pyridin-2-one
PubChem CID82527356
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-[(cyclopropylamino)methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CNC1CC1
InChIInChI=1S/C9H12N2O/c12-9-7(2-1-5-10-9)6-11-8-3-4-8/h1-2,5,8,11H,3-4,6H2,(H,10,12)
InChIKeyAHWYXRDMUAACME-UHFFFAOYSA-N
XLogP0.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one (CID 82527356) is 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one is O=c1[nH]cccc1CNC1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one?
The InChIKey is AHWYXRDMUAACME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-7(2-1-5-10-9)6-11-8-3-4-8/h1-2,5,8,11H,3-4,6H2,(H,10,12).
What are the key properties of 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one?
3-[(cyclopropylamino)methyl]-1H-pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 82527356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).