N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide

C13H17NO — CID 143464516

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide
SMILESC=C/C=C\C(=C/C)NC(=O)CCC#CC
InChIInChI=1S/C13H17NO/c1-4-7-9-11-13(15)14-12(6-3)10-8-5-2/h5-6,8,10H,2,9,11H2,1,3H3,(H,14,15)/b10-8-,12-6+
InChIKeyMFZNLJMXZUZXHE-YNJFZHJKSA-N
MW203.28 g/mol
LogP2.55
Rot. Bonds5

About N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide (PubChem CID 143464516) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide
PubChem CID143464516
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide
SMILESC=C/C=C\C(=C/C)NC(=O)CCC#CC
InChIInChI=1S/C13H17NO/c1-4-7-9-11-13(15)14-12(6-3)10-8-5-2/h5-6,8,10H,2,9,11H2,1,3H3,(H,14,15)/b10-8-,12-6+
InChIKeyMFZNLJMXZUZXHE-YNJFZHJKSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
CID 177149097
(E)-non-2-en-7-yn-4-one
CID 103453391
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
CID 143049529
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
CID 144641334
1,3-bis[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]urea
CID 134386892

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide (CID 143464516) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide is C=C/C=C\C(=C/C)NC(=O)CCC#CC.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide?
The InChIKey is MFZNLJMXZUZXHE-YNJFZHJKSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-7-9-11-13(15)14-12(6-3)10-8-5-2/h5-6,8,10H,2,9,11H2,1,3H3,(H,14,15)/b10-8-,12-6+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide has a molecular weight of 203.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide is sourced from PubChem (CID 143464516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).