3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one

C9H12N2O — CID 130706241

IUPAC3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one
SMILESN[C@@H](c1c[nH]ccc1=O)C1CC1
InChIInChI=1S/C9H12N2O/c10-9(6-1-2-6)7-5-11-4-3-8(7)12/h3-6,9H,1-2,10H2,(H,11,12)/t9-/m1/s1
InChIKeyKWLIANQISZNJCM-SECBINFHSA-N
MW164.21 g/mol
LogP0.78
Rot. Bonds2

About 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one

3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one (PubChem CID 130706241) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one
PubChem CID130706241
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one
SMILESN[C@@H](c1c[nH]ccc1=O)C1CC1
InChIInChI=1S/C9H12N2O/c10-9(6-1-2-6)7-5-11-4-3-8(7)12/h3-6,9H,1-2,10H2,(H,11,12)/t9-/m1/s1
InChIKeyKWLIANQISZNJCM-SECBINFHSA-N
XLogP0.78
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one?
The IUPAC name of 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one (CID 130706241) is 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one is N[C@@H](c1c[nH]ccc1=O)C1CC1.
What is the InChIKey of 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one?
The InChIKey is KWLIANQISZNJCM-SECBINFHSA-N. The full InChI is InChI=1S/C9H12N2O/c10-9(6-1-2-6)7-5-11-4-3-8(7)12/h3-6,9H,1-2,10H2,(H,11,12)/t9-/m1/s1.
What are the key properties of 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one?
3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one is sourced from PubChem (CID 130706241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).