(3Z)-3-ethylidenepyridin-2-imine

C7H8N2 — CID 89254996

IUPAC(3Z)-3-ethylidenepyridin-2-imine
SMILES[H]/N=C1\N=CC=C\C1=C\C
InChIInChI=1S/C7H8N2/c1-2-6-4-3-5-9-7(6)8/h2-5,8H,1H3/b6-2-,8-7-
InChIKeyLEMBXWNFOQHICC-YZYNTKSOSA-N
MW120.15 g/mol
LogP1.55
Rot. Bonds

About (3Z)-3-ethylidenepyridin-2-imine

(3Z)-3-ethylidenepyridin-2-imine (PubChem CID 89254996) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (3Z)-3-ethylidenepyridin-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidenepyridin-2-imine
PubChem CID89254996
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(3Z)-3-ethylidenepyridin-2-imine
SMILES[H]/N=C1\N=CC=C\C1=C\C
InChIInChI=1S/C7H8N2/c1-2-6-4-3-5-9-7(6)8/h2-5,8H,1H3/b6-2-,8-7-
InChIKeyLEMBXWNFOQHICC-YZYNTKSOSA-N
XLogP1.55
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3Z)-3-ethylidenepyridin-2-imine?
The IUPAC name of (3Z)-3-ethylidenepyridin-2-imine (CID 89254996) is (3Z)-3-ethylidenepyridin-2-imine.
What is the SMILES notation for (3Z)-3-ethylidenepyridin-2-imine?
The canonical SMILES for (3Z)-3-ethylidenepyridin-2-imine is [H]/N=C1\N=CC=C\C1=C\C.
What is the InChIKey of (3Z)-3-ethylidenepyridin-2-imine?
The InChIKey is LEMBXWNFOQHICC-YZYNTKSOSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-4-3-5-9-7(6)8/h2-5,8H,1H3/b6-2-,8-7-.
What are the key properties of (3Z)-3-ethylidenepyridin-2-imine?
(3Z)-3-ethylidenepyridin-2-imine has a molecular weight of 120.15 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidenepyridin-2-imine is sourced from PubChem (CID 89254996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).