3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one

C10H14N2O — CID 10035174

IUPAC3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one
SMILESC[C@@H](N)C/C=C/c1c[nH]ccc1=O
InChIInChI=1S/C10H14N2O/c1-8(11)3-2-4-9-7-12-6-5-10(9)13/h2,4-8H,3,11H2,1H3,(H,12,13)/b4-2+/t8-/m1/s1
InChIKeyPIXSVCSUXPWQTB-BYDTYLDUSA-N
MW178.24 g/mol
LogP1.13
Rot. Bonds3

About 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one

3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one (PubChem CID 10035174) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one
PubChem CID10035174
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one
SMILESC[C@@H](N)C/C=C/c1c[nH]ccc1=O
InChIInChI=1S/C10H14N2O/c1-8(11)3-2-4-9-7-12-6-5-10(9)13/h2,4-8H,3,11H2,1H3,(H,12,13)/b4-2+/t8-/m1/s1
InChIKeyPIXSVCSUXPWQTB-BYDTYLDUSA-N
XLogP1.13
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one?
The IUPAC name of 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one (CID 10035174) is 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one is C[C@@H](N)C/C=C/c1c[nH]ccc1=O.
What is the InChIKey of 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one?
The InChIKey is PIXSVCSUXPWQTB-BYDTYLDUSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(11)3-2-4-9-7-12-6-5-10(9)13/h2,4-8H,3,11H2,1H3,(H,12,13)/b4-2+/t8-/m1/s1.
What are the key properties of 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one?
3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one has a molecular weight of 178.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E,4R)-4-aminopent-1-enyl]-1H-pyridin-4-one is sourced from PubChem (CID 10035174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).