2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde

C15H21NO — CID 155030365

IUPAC2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde
SMILESC=CC/C=C(/N=C/C=O)C(C=CCC)/C=C\C
InChIInChI=1S/C15H21NO/c1-4-7-10-14(9-6-3)15(11-8-5-2)16-12-13-17/h5-7,9-14H,2,4,8H2,1,3H3/b9-6-,10-7?,15-11+,16-12+
InChIKeyGIJGWTCIRHJQLV-GMVQCCAFSA-N
MW231.34 g/mol
LogP3.87
Rot. Bonds8

About 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde

2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde (PubChem CID 155030365) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde.

Molecular Properties

Compound Name2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde
PubChem CID155030365
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde
SMILESC=CC/C=C(/N=C/C=O)C(C=CCC)/C=C\C
InChIInChI=1S/C15H21NO/c1-4-7-10-14(9-6-3)15(11-8-5-2)16-12-13-17/h5-7,9-14H,2,4,8H2,1,3H3/b9-6-,10-7?,15-11+,16-12+
InChIKeyGIJGWTCIRHJQLV-GMVQCCAFSA-N
XLogP3.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde?
The IUPAC name of 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde (CID 155030365) is 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde.
What is the SMILES notation for 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde?
The canonical SMILES for 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde is C=CC/C=C(/N=C/C=O)C(C=CCC)/C=C\C.
What is the InChIKey of 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde?
The InChIKey is GIJGWTCIRHJQLV-GMVQCCAFSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-7-10-14(9-6-3)15(11-8-5-2)16-12-13-17/h5-7,9-14H,2,4,8H2,1,3H3/b9-6-,10-7?,15-11+,16-12+.
What are the key properties of 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde?
2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde has a molecular weight of 231.34 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-6-[(Z)-prop-1-enyl]deca-1,4,7-trien-5-yl]iminoacetaldehyde is sourced from PubChem (CID 155030365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).