3-N-propan-2-ylidenebut-3-ene-2,3-diimine

C7H12N2 — CID 123251227

IUPAC3-N-propan-2-ylidenebut-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(=C)N=C(C)C
InChIInChI=1S/C7H12N2/c1-5(2)9-7(4)6(3)8/h8H,4H2,1-3H3/b8-6+
InChIKeyQYVFHAZFOCDHMJ-SOFGYWHQSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds2

About 3-N-propan-2-ylidenebut-3-ene-2,3-diimine

3-N-propan-2-ylidenebut-3-ene-2,3-diimine (PubChem CID 123251227) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-N-propan-2-ylidenebut-3-ene-2,3-diimine.

Molecular Properties

Compound Name3-N-propan-2-ylidenebut-3-ene-2,3-diimine
PubChem CID123251227
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-N-propan-2-ylidenebut-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(=C)N=C(C)C
InChIInChI=1S/C7H12N2/c1-5(2)9-7(4)6(3)8/h8H,4H2,1-3H3/b8-6+
InChIKeyQYVFHAZFOCDHMJ-SOFGYWHQSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
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 3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
The IUPAC name of 3-N-propan-2-ylidenebut-3-ene-2,3-diimine (CID 123251227) is 3-N-propan-2-ylidenebut-3-ene-2,3-diimine.
What is the SMILES notation for 3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
The canonical SMILES for 3-N-propan-2-ylidenebut-3-ene-2,3-diimine is [H]/N=C(\C)C(=C)N=C(C)C.
What is the InChIKey of 3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
The InChIKey is QYVFHAZFOCDHMJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)9-7(4)6(3)8/h8H,4H2,1-3H3/b8-6+.
What are the key properties of 3-N-propan-2-ylidenebut-3-ene-2,3-diimine?
3-N-propan-2-ylidenebut-3-ene-2,3-diimine has a molecular weight of 124.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-ylidenebut-3-ene-2,3-diimine is sourced from PubChem (CID 123251227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).