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

C8H14N2O — CID 15598786

IUPAC(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C8H14N2O/c1-7(9-11)8-4-3-5-10(2)6-8/h4,11H,3,5-6H2,1-2H3/b9-7+
InChIKeyBXRZYSMESNRBID-VQHVLOKHSA-N
MW154.21 g/mol
LogP1.10
Rot. Bonds1

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

(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine (PubChem CID 15598786) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
PubChem CID15598786
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C8H14N2O/c1-7(9-11)8-4-3-5-10(2)6-8/h4,11H,3,5-6H2,1-2H3/b9-7+
InChIKeyBXRZYSMESNRBID-VQHVLOKHSA-N
XLogP1.10
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine (CID 15598786) is (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine is C/C(=N\O)C1=CCCN(C)C1.
What is the InChIKey of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
The InChIKey is BXRZYSMESNRBID-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(9-11)8-4-3-5-10(2)6-8/h4,11H,3,5-6H2,1-2H3/b9-7+.
What are the key properties of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine has a molecular weight of 154.21 g/mol, XLogP of 1.10, 1 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)ethylidene]hydroxylamine is sourced from PubChem (CID 15598786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).