N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine

C10H13N — CID 123301971

IUPACN-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine
SMILESC=CC(=CC)C(C=C)=CN=C
InChIInChI=1S/C10H13N/c1-5-9(6-2)10(7-3)8-11-4/h5-8H,1,3-4H2,2H3
InChIKeyUDGOXCKPEIIVGS-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.89
Rot. Bonds4

About N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine

N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine (PubChem CID 123301971) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine
PubChem CID123301971
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine
SMILESC=CC(=CC)C(C=C)=CN=C
InChIInChI=1S/C10H13N/c1-5-9(6-2)10(7-3)8-11-4/h5-8H,1,3-4H2,2H3
InChIKeyUDGOXCKPEIIVGS-UHFFFAOYSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.89
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-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine (CID 123301971) is N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine is C=CC(=CC)C(C=C)=CN=C.
What is the InChIKey of N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine?
The InChIKey is UDGOXCKPEIIVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-5-9(6-2)10(7-3)8-11-4/h5-8H,1,3-4H2,2H3.
What are the key properties of N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine?
N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine has a molecular weight of 147.22 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 123301971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).