5-amino-1-(cyclopropylmethyl)pyridin-2-one

C9H12N2O — CID 60774321

IUPAC5-amino-1-(cyclopropylmethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CC2CC2)c1
InChIInChI=1S/C9H12N2O/c10-8-3-4-9(12)11(6-8)5-7-1-2-7/h3-4,6-7H,1-2,5,10H2
InChIKeyNVJFJMTUSFSLAW-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.84
Rot. Bonds2

About 5-amino-1-(cyclopropylmethyl)pyridin-2-one

5-amino-1-(cyclopropylmethyl)pyridin-2-one (PubChem CID 60774321) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-amino-1-(cyclopropylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(cyclopropylmethyl)pyridin-2-one
PubChem CID60774321
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-amino-1-(cyclopropylmethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CC2CC2)c1
InChIInChI=1S/C9H12N2O/c10-8-3-4-9(12)11(6-8)5-7-1-2-7/h3-4,6-7H,1-2,5,10H2
InChIKeyNVJFJMTUSFSLAW-UHFFFAOYSA-N
XLogP0.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclopropylmethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(cyclopropylmethyl)pyridin-2-one (CID 60774321) is 5-amino-1-(cyclopropylmethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(cyclopropylmethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(cyclopropylmethyl)pyridin-2-one is Nc1ccc(=O)n(CC2CC2)c1.
What is the InChIKey of 5-amino-1-(cyclopropylmethyl)pyridin-2-one?
The InChIKey is NVJFJMTUSFSLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-3-4-9(12)11(6-8)5-7-1-2-7/h3-4,6-7H,1-2,5,10H2.
What are the key properties of 5-amino-1-(cyclopropylmethyl)pyridin-2-one?
5-amino-1-(cyclopropylmethyl)pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclopropylmethyl)pyridin-2-one is sourced from PubChem (CID 60774321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).