N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine

C10H14N2O — CID 54757424

IUPACN-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine
SMILESC=C(C)C(C)N(O)c1ccccn1
InChIInChI=1S/C10H14N2O/c1-8(2)9(3)12(13)10-6-4-5-7-11-10/h4-7,9,13H,1H2,2-3H3
InChIKeyIIHSAYYKXRYHBY-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.24
Rot. Bonds3

About N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine

N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine (PubChem CID 54757424) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine.

Molecular Properties

Compound NameN-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine
PubChem CID54757424
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine
SMILESC=C(C)C(C)N(O)c1ccccn1
InChIInChI=1S/C10H14N2O/c1-8(2)9(3)12(13)10-6-4-5-7-11-10/h4-7,9,13H,1H2,2-3H3
InChIKeyIIHSAYYKXRYHBY-UHFFFAOYSA-N
XLogP2.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
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-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine?
The IUPAC name of N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine (CID 54757424) is N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine.
What is the SMILES notation for N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine?
The canonical SMILES for N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine is C=C(C)C(C)N(O)c1ccccn1.
What is the InChIKey of N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine?
The InChIKey is IIHSAYYKXRYHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)9(3)12(13)10-6-4-5-7-11-10/h4-7,9,13H,1H2,2-3H3.
What are the key properties of N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine?
N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine has a molecular weight of 178.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-en-2-yl)-N-pyridin-2-ylhydroxylamine is sourced from PubChem (CID 54757424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).