N-(1-pyridin-4-ylpentylidene)hydroxylamine

C10H14N2O — CID 154164009

IUPACN-(1-pyridin-4-ylpentylidene)hydroxylamine
SMILESCCCCC(=NO)c1ccncc1
InChIInChI=1S/C10H14N2O/c1-2-3-4-10(12-13)9-5-7-11-8-6-9/h5-8,13H,2-4H2,1H3
InChIKeyXVTKJMHWBNAIEY-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.45
Rot. Bonds4

About N-(1-pyridin-4-ylpentylidene)hydroxylamine

N-(1-pyridin-4-ylpentylidene)hydroxylamine (PubChem CID 154164009) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(1-pyridin-4-ylpentylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylpentylidene)hydroxylamine
PubChem CID154164009
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-(1-pyridin-4-ylpentylidene)hydroxylamine
SMILESCCCCC(=NO)c1ccncc1
InChIInChI=1S/C10H14N2O/c1-2-3-4-10(12-13)9-5-7-11-8-6-9/h5-8,13H,2-4H2,1H3
InChIKeyXVTKJMHWBNAIEY-UHFFFAOYSA-N
XLogP2.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.45
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 N-(1-pyridin-4-ylpentylidene)hydroxylamine?
The IUPAC name of N-(1-pyridin-4-ylpentylidene)hydroxylamine (CID 154164009) is N-(1-pyridin-4-ylpentylidene)hydroxylamine.
What is the SMILES notation for N-(1-pyridin-4-ylpentylidene)hydroxylamine?
The canonical SMILES for N-(1-pyridin-4-ylpentylidene)hydroxylamine is CCCCC(=NO)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylpentylidene)hydroxylamine?
The InChIKey is XVTKJMHWBNAIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-3-4-10(12-13)9-5-7-11-8-6-9/h5-8,13H,2-4H2,1H3.
What are the key properties of N-(1-pyridin-4-ylpentylidene)hydroxylamine?
N-(1-pyridin-4-ylpentylidene)hydroxylamine has a molecular weight of 178.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylpentylidene)hydroxylamine is sourced from PubChem (CID 154164009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).