(2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal

C11H15NO — CID 101477346

IUPAC(2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal
SMILESC=CCN(/C=C/C=C/C=O)CC=C
InChIInChI=1S/C11H15NO/c1-3-8-12(9-4-2)10-6-5-7-11-13/h3-7,10-11H,1-2,8-9H2/b7-5+,10-6+
InChIKeyJPPCKMPRMAYNGR-YLNKAEQOSA-N
MW177.25 g/mol
LogP1.93
Rot. Bonds7

About (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal

(2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal (PubChem CID 101477346) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal
PubChem CID101477346
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal
SMILESC=CCN(/C=C/C=C/C=O)CC=C
InChIInChI=1S/C11H15NO/c1-3-8-12(9-4-2)10-6-5-7-11-13/h3-7,10-11H,1-2,8-9H2/b7-5+,10-6+
InChIKeyJPPCKMPRMAYNGR-YLNKAEQOSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-prop-2-enylformamide
CID 54106306
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
CID 102293194
3-[bis(prop-2-enyl)amino]prop-2-enamide
CID 87667924
but-2-enedial;copper
CID 174314977
(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine
CID 143685278
N-(2-chloroprop-2-enyl)-N-prop-2-enylformamide
CID 88774586
(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal
CID 11194828
(2E,4E,6E)-8,8-dimethylnona-2,4,6-trienal
CID 15208834
N-methyl-N-[(E)-[methyl(prop-2-enyl)amino]diazenyl]prop-2-en-1-amine
CID 146437281
N-amino-N-prop-2-enylformamide
CID 87139265
N-ethenyl-N-prop-2-enylformamide
CID 57465791
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal?
The IUPAC name of (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal (CID 101477346) is (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal.
What is the SMILES notation for (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal?
The canonical SMILES for (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal is C=CCN(/C=C/C=C/C=O)CC=C.
What is the InChIKey of (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal?
The InChIKey is JPPCKMPRMAYNGR-YLNKAEQOSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-8-12(9-4-2)10-6-5-7-11-13/h3-7,10-11H,1-2,8-9H2/b7-5+,10-6+.
What are the key properties of (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal?
(2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal has a molecular weight of 177.25 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[bis(prop-2-enyl)amino]penta-2,4-dienal is sourced from PubChem (CID 101477346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).