N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine

C7H12N2O — CID 55288177

IUPACN-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine
SMILESC=CC1CCN=C(NO)C1
InChIInChI=1S/C7H12N2O/c1-2-6-3-4-8-7(5-6)9-10/h2,6,10H,1,3-5H2,(H,8,9)
InChIKeyXEVPDKQJHRCOGC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.96
Rot. Bonds1

About N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine

N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine (PubChem CID 55288177) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine
PubChem CID55288177
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine
SMILESC=CC1CCN=C(NO)C1
InChIInChI=1S/C7H12N2O/c1-2-6-3-4-8-7(5-6)9-10/h2,6,10H,1,3-5H2,(H,8,9)
InChIKeyXEVPDKQJHRCOGC-UHFFFAOYSA-N
XLogP0.96
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine?
The IUPAC name of N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine (CID 55288177) is N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine.
What is the SMILES notation for N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine?
The canonical SMILES for N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine is C=CC1CCN=C(NO)C1.
What is the InChIKey of N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine?
The InChIKey is XEVPDKQJHRCOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-6-3-4-8-7(5-6)9-10/h2,6,10H,1,3-5H2,(H,8,9).
What are the key properties of N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine?
N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine has a molecular weight of 140.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-2,3,4,5-tetrahydropyridin-6-yl)hydroxylamine is sourced from PubChem (CID 55288177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).