N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine

C10H13N — CID 142220946

IUPACN-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine
SMILESC=CC(/C=C\C)=C(/C=C)N=C
InChIInChI=1S/C10H13N/c1-5-8-9(6-2)10(7-3)11-4/h5-8H,2-4H2,1H3/b8-5-,10-9+
InChIKeyCGNSOWACOZMTLC-RGPKZFNQSA-N
MW147.22 g/mol
LogP2.89
Rot. Bonds4

About N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine

N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine (PubChem CID 142220946) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine
PubChem CID142220946
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine
SMILESC=CC(/C=C\C)=C(/C=C)N=C
InChIInChI=1S/C10H13N/c1-5-8-9(6-2)10(7-3)11-4/h5-8H,2-4H2,1H3/b8-5-,10-9+
InChIKeyCGNSOWACOZMTLC-RGPKZFNQSA-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-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine?
The IUPAC name of N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine (CID 142220946) is N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine.
What is the SMILES notation for N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine?
The canonical SMILES for N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine is C=CC(/C=C\C)=C(/C=C)N=C.
What is the InChIKey of N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine?
The InChIKey is CGNSOWACOZMTLC-RGPKZFNQSA-N. The full InChI is InChI=1S/C10H13N/c1-5-8-9(6-2)10(7-3)11-4/h5-8H,2-4H2,1H3/b8-5-,10-9+.
What are the key properties of N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine?
N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]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-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]methanimine is sourced from PubChem (CID 142220946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).