N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine

C11H14N2O — CID 2311431

IUPACN-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine
SMILESC(=N/C[C@@H]1CCCO1)\c1cccnc1
InChIInChI=1S/C11H14N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1,3,5,7-8,11H,2,4,6,9H2/b13-8+/t11-/m0/s1
InChIKeyVXOSXMBPJMLJKX-ZWSXMNCCSA-N
MW190.25 g/mol
LogP1.68
Rot. Bonds3

About N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine

N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine (PubChem CID 2311431) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine
PubChem CID2311431
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine
SMILESC(=N/C[C@@H]1CCCO1)\c1cccnc1
InChIInChI=1S/C11H14N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1,3,5,7-8,11H,2,4,6,9H2/b13-8+/t11-/m0/s1
InChIKeyVXOSXMBPJMLJKX-ZWSXMNCCSA-N
XLogP1.68
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine (CID 2311431) is N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine is C(=N/C[C@@H]1CCCO1)\c1cccnc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine?
The InChIKey is VXOSXMBPJMLJKX-ZWSXMNCCSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1,3,5,7-8,11H,2,4,6,9H2/b13-8+/t11-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine?
N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine has a molecular weight of 190.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 2311431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).