2-[(1R)-1-aminopropyl]-1H-pyridin-4-one

C8H12N2O — CID 131195816

IUPAC2-[(1R)-1-aminopropyl]-1H-pyridin-4-one
SMILESCC[C@@H](N)c1cc(=O)cc[nH]1
InChIInChI=1S/C8H12N2O/c1-2-7(9)8-5-6(11)3-4-10-8/h3-5,7H,2,9H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeySHGHVSKQRVLIDM-SSDOTTSWSA-N
MW152.20 g/mol
LogP0.78
Rot. Bonds2

About 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one

2-[(1R)-1-aminopropyl]-1H-pyridin-4-one (PubChem CID 131195816) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-1H-pyridin-4-one
PubChem CID131195816
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-[(1R)-1-aminopropyl]-1H-pyridin-4-one
SMILESCC[C@@H](N)c1cc(=O)cc[nH]1
InChIInChI=1S/C8H12N2O/c1-2-7(9)8-5-6(11)3-4-10-8/h3-5,7H,2,9H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeySHGHVSKQRVLIDM-SSDOTTSWSA-N
XLogP0.78
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one?
The IUPAC name of 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one (CID 131195816) is 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one is CC[C@@H](N)c1cc(=O)cc[nH]1.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one?
The InChIKey is SHGHVSKQRVLIDM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-7(9)8-5-6(11)3-4-10-8/h3-5,7H,2,9H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one?
2-[(1R)-1-aminopropyl]-1H-pyridin-4-one has a molecular weight of 152.20 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 2-[(1R)-1-aminopropyl]-1H-pyridin-4-one is sourced from PubChem (CID 131195816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).