(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine

C10H14N2O — CID 15598790

IUPAC(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine
SMILESC#CC/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C10H14N2O/c1-3-5-10(11-13)9-6-4-7-12(2)8-9/h1,6,13H,4-5,7-8H2,2H3/b11-10+
InChIKeyWDFNOKKLPDGLSR-ZHACJKMWSA-N
MW178.23 g/mol
LogP1.10
Rot. Bonds2

About (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine

(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine (PubChem CID 15598790) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine
PubChem CID15598790
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine
SMILESC#CC/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C10H14N2O/c1-3-5-10(11-13)9-6-4-7-12(2)8-9/h1,6,13H,4-5,7-8H2,2H3/b11-10+
InChIKeyWDFNOKKLPDGLSR-ZHACJKMWSA-N
XLogP1.10
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine (CID 15598790) is (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine is C#CC/C(=N\O)C1=CCCN(C)C1.
What is the InChIKey of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine?
The InChIKey is WDFNOKKLPDGLSR-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-5-10(11-13)9-6-4-7-12(2)8-9/h1,6,13H,4-5,7-8H2,2H3/b11-10+.
What are the key properties of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine?
(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine has a molecular weight of 178.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-3-ynylidene]hydroxylamine is sourced from PubChem (CID 15598790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).