N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine

C12H16N2O — CID 88786897

IUPACN-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine
SMILESC=CCc1ccnc(C)c1N(O)CC=C
InChIInChI=1S/C12H16N2O/c1-4-6-11-7-8-13-10(3)12(11)14(15)9-5-2/h4-5,7-8,15H,1-2,6,9H2,3H3
InChIKeyVXSWNUONTICKBM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.50
Rot. Bonds5

About N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine

N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine (PubChem CID 88786897) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine
PubChem CID88786897
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine
SMILESC=CCc1ccnc(C)c1N(O)CC=C
InChIInChI=1S/C12H16N2O/c1-4-6-11-7-8-13-10(3)12(11)14(15)9-5-2/h4-5,7-8,15H,1-2,6,9H2,3H3
InChIKeyVXSWNUONTICKBM-UHFFFAOYSA-N
XLogP2.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine?
The IUPAC name of N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine (CID 88786897) is N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine.
What is the SMILES notation for N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine?
The canonical SMILES for N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine is C=CCc1ccnc(C)c1N(O)CC=C.
What is the InChIKey of N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine?
The InChIKey is VXSWNUONTICKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-6-11-7-8-13-10(3)12(11)14(15)9-5-2/h4-5,7-8,15H,1-2,6,9H2,3H3.
What are the key properties of N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine?
N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine has a molecular weight of 204.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-prop-2-enyl-3-pyridinyl)-N-prop-2-enylhydroxylamine is sourced from PubChem (CID 88786897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).