N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine

C7H12N2O — CID 72730030

IUPACN-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine
SMILESCC(=NO)C1=CCNCC1
InChIInChI=1S/C7H12N2O/c1-6(9-10)7-2-4-8-5-3-7/h2,8,10H,3-5H2,1H3
InChIKeySAUUZKORNGTHGG-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.76
Rot. Bonds1

About N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine

N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine (PubChem CID 72730030) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine
PubChem CID72730030
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine
SMILESCC(=NO)C1=CCNCC1
InChIInChI=1S/C7H12N2O/c1-6(9-10)7-2-4-8-5-3-7/h2,8,10H,3-5H2,1H3
InChIKeySAUUZKORNGTHGG-UHFFFAOYSA-N
XLogP0.76
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.76
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-4-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine (CID 72730030) is N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine is CC(=NO)C1=CCNCC1.
What is the InChIKey of N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine?
The InChIKey is SAUUZKORNGTHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(9-10)7-2-4-8-5-3-7/h2,8,10H,3-5H2,1H3.
What are the key properties of N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine?
N-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethylidene]hydroxylamine has a molecular weight of 140.19 g/mol, XLogP of 0.76, 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-4-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 72730030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).