3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine

C11H14N2O — CID 143711824

IUPAC3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine
SMILESC/C(=C\Nc1ncccc1C)C1CO1
InChIInChI=1S/C11H14N2O/c1-8-4-3-5-12-11(8)13-6-9(2)10-7-14-10/h3-6,10H,7H2,1-2H3,(H,12,13)/b9-6+
InChIKeyVMZZGBOKICTAAM-RMKNXTFCSA-N
MW190.25 g/mol
LogP2.10
Rot. Bonds3

About 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine

3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine (PubChem CID 143711824) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine
PubChem CID143711824
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine
SMILESC/C(=C\Nc1ncccc1C)C1CO1
InChIInChI=1S/C11H14N2O/c1-8-4-3-5-12-11(8)13-6-9(2)10-7-14-10/h3-6,10H,7H2,1-2H3,(H,12,13)/b9-6+
InChIKeyVMZZGBOKICTAAM-RMKNXTFCSA-N
XLogP2.10
TPSA37.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine (CID 143711824) is 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine is C/C(=C\Nc1ncccc1C)C1CO1.
What is the InChIKey of 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine?
The InChIKey is VMZZGBOKICTAAM-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-4-3-5-12-11(8)13-6-9(2)10-7-14-10/h3-6,10H,7H2,1-2H3,(H,12,13)/b9-6+.
What are the key properties of 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine?
3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine has a molecular weight of 190.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine is sourced from PubChem (CID 143711824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).