5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one

C10H16N2O3 — CID 118102123

IUPAC5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one
SMILESCCCCOc1c[nH]c(CNO)cc1=O
InChIInChI=1S/C10H16N2O3/c1-2-3-4-15-10-7-11-8(6-12-14)5-9(10)13/h5,7,12,14H,2-4,6H2,1H3,(H,11,13)
InChIKeyQQDDOGHGRBUQOL-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.03
Rot. Bonds6

About 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one

5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one (PubChem CID 118102123) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one
PubChem CID118102123
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one
SMILESCCCCOc1c[nH]c(CNO)cc1=O
InChIInChI=1S/C10H16N2O3/c1-2-3-4-15-10-7-11-8(6-12-14)5-9(10)13/h5,7,12,14H,2-4,6H2,1H3,(H,11,13)
InChIKeyQQDDOGHGRBUQOL-UHFFFAOYSA-N
XLogP1.03
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Azidomethyl-5-propoxy-pyridin-4-ol
CID 42625825
2-Aminomethyl-5-propoxy-pyridin-4-ol
CID 42625826
2-Aminomethyl-5-methoxy-pyridin-4-ol
CID 42625910
2-aminomethyl-1-methyl-5-propoxy-1H-pyridin-4-one
CID 59300156
2-(Aminomethyl)-1,5-dibutoxypyridin-4-one
CID 67963607
2-(aminomethyl)-5-butoxy-1H-pyridin-4-one
CID 67963609
5-Butoxy-2-[(dimethylamino)methyl]-1-methylpyridin-4-one
CID 70805132
1,5-Dibutoxy-2-[(hydroxyamino)methyl]pyridin-4-one
CID 118102216
1,5-Dibutoxy-2-(methylaminomethyl)pyridin-4-one
CID 118102221
5-ethoxy-N'-hydroxy-4-oxo-1H-pyridine-2-carboximidamide
CID 153382425
2-(Aminomethyl)-5-(2-methylpropoxy)pyridin-4-ol
CID 51714213
2-methyl-5-propoxy-1H-pyridin-4-one
CID 52107697

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one?
The IUPAC name of 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one (CID 118102123) is 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one?
The canonical SMILES for 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one is CCCCOc1c[nH]c(CNO)cc1=O.
What is the InChIKey of 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one?
The InChIKey is QQDDOGHGRBUQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-3-4-15-10-7-11-8(6-12-14)5-9(10)13/h5,7,12,14H,2-4,6H2,1H3,(H,11,13).
What are the key properties of 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one?
5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one has a molecular weight of 212.25 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[(hydroxyamino)methyl]-1H-pyridin-4-one is sourced from PubChem (CID 118102123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).