(NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride

C6H11ClN2O — CID 6448567

IUPAC(NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride
SMILESCl.O/N=C\C1=CCCNC1
InChIInChI=1S/C6H10N2O.ClH/c9-8-5-6-2-1-3-7-4-6;/h2,5,7,9H,1,3-4H2;1H/b8-5-;
InChIKeySNPNBLAHYDNVEM-HGKIGUAWSA-N
MW162.62 g/mol
LogP0.79
Rot. Bonds1

About (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride

(NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride (PubChem CID 6448567) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride
PubChem CID6448567
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name(NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride
SMILESCl.O/N=C\C1=CCCNC1
InChIInChI=1S/C6H10N2O.ClH/c9-8-5-6-2-1-3-7-4-6;/h2,5,7,9H,1,3-4H2;1H/b8-5-;
InChIKeySNPNBLAHYDNVEM-HGKIGUAWSA-N
XLogP0.79
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride?
The IUPAC name of (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride (CID 6448567) is (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride.
What is the SMILES notation for (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride?
The canonical SMILES for (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride is Cl.O/N=C\C1=CCCNC1.
What is the InChIKey of (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride?
The InChIKey is SNPNBLAHYDNVEM-HGKIGUAWSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c9-8-5-6-2-1-3-7-4-6;/h2,5,7,9H,1,3-4H2;1H/b8-5-;.
What are the key properties of (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride?
(NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1,2,3,6-tetrahydropyridin-5-ylmethylidene)hydroxylamine;hydrochloride is sourced from PubChem (CID 6448567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).