(2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine

C9H12N2 — CID 137483903

IUPAC(2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine
SMILES[H]/N=C/C=C1/N=CC=CC1CC
InChIInChI=1S/C9H12N2/c1-2-8-4-3-7-11-9(8)5-6-10/h3-8,10H,2H2,1H3/b9-5+,10-6+
InChIKeyVNXSKDPWEGUDCV-NXZHAISVSA-N
MW148.21 g/mol
LogP2.19
Rot. Bonds2

About (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine

(2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine (PubChem CID 137483903) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine.

Molecular Properties

Compound Name(2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine
PubChem CID137483903
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine
SMILES[H]/N=C/C=C1/N=CC=CC1CC
InChIInChI=1S/C9H12N2/c1-2-8-4-3-7-11-9(8)5-6-10/h3-8,10H,2H2,1H3/b9-5+,10-6+
InChIKeyVNXSKDPWEGUDCV-NXZHAISVSA-N
XLogP2.19
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine?
The IUPAC name of (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine (CID 137483903) is (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine.
What is the SMILES notation for (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine?
The canonical SMILES for (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine is [H]/N=C/C=C1/N=CC=CC1CC.
What is the InChIKey of (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine?
The InChIKey is VNXSKDPWEGUDCV-NXZHAISVSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-8-4-3-7-11-9(8)5-6-10/h3-8,10H,2H2,1H3/b9-5+,10-6+.
What are the key properties of (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine?
(2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine has a molecular weight of 148.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-ethyl-3H-pyridin-2-ylidene)ethanimine is sourced from PubChem (CID 137483903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).