N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine

C10H12N2O — CID 173104838

IUPACN-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine
SMILESC=C(C)c1cncc(CC=NO)c1
InChIInChI=1S/C10H12N2O/c1-8(2)10-5-9(3-4-12-13)6-11-7-10/h4-7,13H,1,3H2,2H3
InChIKeyLCGHYRHEHLOBIS-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.12
Rot. Bonds3

About N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine

N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine (PubChem CID 173104838) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine
PubChem CID173104838
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine
SMILESC=C(C)c1cncc(CC=NO)c1
InChIInChI=1S/C10H12N2O/c1-8(2)10-5-9(3-4-12-13)6-11-7-10/h4-7,13H,1,3H2,2H3
InChIKeyLCGHYRHEHLOBIS-UHFFFAOYSA-N
XLogP2.12
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.12
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-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine (CID 173104838) is N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine is C=C(C)c1cncc(CC=NO)c1.
What is the InChIKey of N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine?
The InChIKey is LCGHYRHEHLOBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(2)10-5-9(3-4-12-13)6-11-7-10/h4-7,13H,1,3H2,2H3.
What are the key properties of N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine?
N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine has a molecular weight of 176.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-prop-1-en-2-yl-3-pyridinyl)ethylidene]hydroxylamine is sourced from PubChem (CID 173104838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).