N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride

C7H13ClN2O — CID 162333644

IUPACN-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride
SMILESCC(=NO)C1=CCCNC1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-6(9-10)7-3-2-4-8-5-7;/h3,8,10H,2,4-5H2,1H3;1H
InChIKeyNNXXRTSADMNBPT-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.18
Rot. Bonds1

About N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride

N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride (PubChem CID 162333644) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride
PubChem CID162333644
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC NameN-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride
SMILESCC(=NO)C1=CCCNC1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-6(9-10)7-3-2-4-8-5-7;/h3,8,10H,2,4-5H2,1H3;1H
InChIKeyNNXXRTSADMNBPT-UHFFFAOYSA-N
XLogP1.18
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.18
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 N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride (CID 162333644) is N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride is CC(=NO)C1=CCCNC1.Cl.
What is the InChIKey of N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride?
The InChIKey is NNXXRTSADMNBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-6(9-10)7-3-2-4-8-5-7;/h3,8,10H,2,4-5H2,1H3;1H.
What are the key properties of N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride?
N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 162333644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).