N-(3-methylidenepenta-1,4-dien-2-yl)methanimine

C7H9N — CID 138739922

IUPACN-(3-methylidenepenta-1,4-dien-2-yl)methanimine
SMILESC=CC(=C)C(=C)N=C
InChIInChI=1S/C7H9N/c1-5-6(2)7(3)8-4/h5H,1-4H2
InChIKeyULBBCZKHHDUDSJ-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.94
Rot. Bonds3

About N-(3-methylidenepenta-1,4-dien-2-yl)methanimine

N-(3-methylidenepenta-1,4-dien-2-yl)methanimine (PubChem CID 138739922) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-(3-methylidenepenta-1,4-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-methylidenepenta-1,4-dien-2-yl)methanimine
PubChem CID138739922
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-(3-methylidenepenta-1,4-dien-2-yl)methanimine
SMILESC=CC(=C)C(=C)N=C
InChIInChI=1S/C7H9N/c1-5-6(2)7(3)8-4/h5H,1-4H2
InChIKeyULBBCZKHHDUDSJ-UHFFFAOYSA-N
XLogP1.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylidenepenta-1,4-dien-2-yl)methanimine?
The IUPAC name of N-(3-methylidenepenta-1,4-dien-2-yl)methanimine (CID 138739922) is N-(3-methylidenepenta-1,4-dien-2-yl)methanimine.
What is the SMILES notation for N-(3-methylidenepenta-1,4-dien-2-yl)methanimine?
The canonical SMILES for N-(3-methylidenepenta-1,4-dien-2-yl)methanimine is C=CC(=C)C(=C)N=C.
What is the InChIKey of N-(3-methylidenepenta-1,4-dien-2-yl)methanimine?
The InChIKey is ULBBCZKHHDUDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-5-6(2)7(3)8-4/h5H,1-4H2.
What are the key properties of N-(3-methylidenepenta-1,4-dien-2-yl)methanimine?
N-(3-methylidenepenta-1,4-dien-2-yl)methanimine has a molecular weight of 107.16 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidenepenta-1,4-dien-2-yl)methanimine is sourced from PubChem (CID 138739922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).