N-penta-1,3-dien-2-ylethanimine

C7H11N — CID 91071385

IUPACN-penta-1,3-dien-2-ylethanimine
SMILESC=C(C=CC)/N=C/C
InChIInChI=1S/C7H11N/c1-4-6-7(3)8-5-2/h4-6H,3H2,1-2H3/b6-4?,8-5+
InChIKeyNHICLDFYEUSSMS-ZDAFHCPXSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-penta-1,3-dien-2-ylethanimine

N-penta-1,3-dien-2-ylethanimine (PubChem CID 91071385) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-penta-1,3-dien-2-ylethanimine.

Molecular Properties

Compound NameN-penta-1,3-dien-2-ylethanimine
PubChem CID91071385
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-penta-1,3-dien-2-ylethanimine
SMILESC=C(C=CC)/N=C/C
InChIInChI=1S/C7H11N/c1-4-6-7(3)8-5-2/h4-6H,3H2,1-2H3/b6-4?,8-5+
InChIKeyNHICLDFYEUSSMS-ZDAFHCPXSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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-penta-1,3-dien-2-ylethanimine?
The IUPAC name of N-penta-1,3-dien-2-ylethanimine (CID 91071385) is N-penta-1,3-dien-2-ylethanimine.
What is the SMILES notation for N-penta-1,3-dien-2-ylethanimine?
The canonical SMILES for N-penta-1,3-dien-2-ylethanimine is C=C(C=CC)/N=C/C.
What is the InChIKey of N-penta-1,3-dien-2-ylethanimine?
The InChIKey is NHICLDFYEUSSMS-ZDAFHCPXSA-N. The full InChI is InChI=1S/C7H11N/c1-4-6-7(3)8-5-2/h4-6H,3H2,1-2H3/b6-4?,8-5+.
What are the key properties of N-penta-1,3-dien-2-ylethanimine?
N-penta-1,3-dien-2-ylethanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-1,3-dien-2-ylethanimine is sourced from PubChem (CID 91071385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).