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

C9H12N2O — CID 86276996

IUPAC4-amino-1-(cyclopropylmethyl)pyridin-2-one
SMILESNc1ccn(CC2CC2)c(=O)c1
InChIInChI=1S/C9H12N2O/c10-8-3-4-11(9(12)5-8)6-7-1-2-7/h3-5,7H,1-2,6,10H2
InChIKeyNRWQAICWESUEPT-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.84
Rot. Bonds2

About 4-amino-1-(cyclopropylmethyl)pyridin-2-one

4-amino-1-(cyclopropylmethyl)pyridin-2-one (PubChem CID 86276996) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-amino-1-(cyclopropylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclopropylmethyl)pyridin-2-one
PubChem CID86276996
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-amino-1-(cyclopropylmethyl)pyridin-2-one
SMILESNc1ccn(CC2CC2)c(=O)c1
InChIInChI=1S/C9H12N2O/c10-8-3-4-11(9(12)5-8)6-7-1-2-7/h3-5,7H,1-2,6,10H2
InChIKeyNRWQAICWESUEPT-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 4-amino-1-(cyclopropylmethyl)pyridin-2-one?
The IUPAC name of 4-amino-1-(cyclopropylmethyl)pyridin-2-one (CID 86276996) is 4-amino-1-(cyclopropylmethyl)pyridin-2-one.
What is the SMILES notation for 4-amino-1-(cyclopropylmethyl)pyridin-2-one?
The canonical SMILES for 4-amino-1-(cyclopropylmethyl)pyridin-2-one is Nc1ccn(CC2CC2)c(=O)c1.
What is the InChIKey of 4-amino-1-(cyclopropylmethyl)pyridin-2-one?
The InChIKey is NRWQAICWESUEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-3-4-11(9(12)5-8)6-7-1-2-7/h3-5,7H,1-2,6,10H2.
What are the key properties of 4-amino-1-(cyclopropylmethyl)pyridin-2-one?
4-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 4-amino-1-(cyclopropylmethyl)pyridin-2-one is sourced from PubChem (CID 86276996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).