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

C10H16N2O — CID 14330053

IUPAC(NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
SMILESC=CCN1CCC=C(/C(C)=N/O)C1
InChIInChI=1S/C10H16N2O/c1-3-6-12-7-4-5-10(8-12)9(2)11-13/h3,5,13H,1,4,6-8H2,2H3/b11-9+
InChIKeyXETZQFVGQBVTNA-PKNBQFBNSA-N
MW180.25 g/mol
LogP1.65
Rot. Bonds3

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

(NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine (PubChem CID 14330053) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
PubChem CID14330053
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine
SMILESC=CCN1CCC=C(/C(C)=N/O)C1
InChIInChI=1S/C10H16N2O/c1-3-6-12-7-4-5-10(8-12)9(2)11-13/h3,5,13H,1,4,6-8H2,2H3/b11-9+
InChIKeyXETZQFVGQBVTNA-PKNBQFBNSA-N
XLogP1.65
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine (CID 14330053) is (NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine is C=CCN1CCC=C(/C(C)=N/O)C1.
What is the InChIKey of (NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
The InChIKey is XETZQFVGQBVTNA-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-6-12-7-4-5-10(8-12)9(2)11-13/h3,5,13H,1,4,6-8H2,2H3/b11-9+.
What are the key properties of (NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine has a molecular weight of 180.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 14330053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).