N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide

C12H19NO — CID 146639754

IUPACN-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide
SMILESC=C/C(=C\C=C(/C)NC(=O)CC)CC
InChIInChI=1S/C12H19NO/c1-5-11(6-2)9-8-10(4)13-12(14)7-3/h5,8-9H,1,6-7H2,2-4H3,(H,13,14)/b10-8+,11-9+
InChIKeyMAGBXJCVMKNVRL-GFULKKFKSA-N
MW193.29 g/mol
LogP2.94
Rot. Bonds5

About N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide

N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide (PubChem CID 146639754) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide
PubChem CID146639754
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide
SMILESC=C/C(=C\C=C(/C)NC(=O)CC)CC
InChIInChI=1S/C12H19NO/c1-5-11(6-2)9-8-10(4)13-12(14)7-3/h5,8-9H,1,6-7H2,2-4H3,(H,13,14)/b10-8+,11-9+
InChIKeyMAGBXJCVMKNVRL-GFULKKFKSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
CID 143108414
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;propane
CID 143474945
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
N-[(3E)-2,4-dimethylhexa-1,3,5-trien-3-yl]propanamide
CID 143419454
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
CID 143474971
methyl (Z)-3-(propanoylamino)but-2-enoate
CID 121227364
methyl 3-(propanoylamino)but-2-enoate
CID 130719515
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
4-oxo-4-[[(2E)-penta-2,4-dien-2-yl]amino]butanoic acid
CID 166824221

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide?
The IUPAC name of N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide (CID 146639754) is N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide.
What is the SMILES notation for N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide?
The canonical SMILES for N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide is C=C/C(=C\C=C(/C)NC(=O)CC)CC.
What is the InChIKey of N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide?
The InChIKey is MAGBXJCVMKNVRL-GFULKKFKSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-11(6-2)9-8-10(4)13-12(14)7-3/h5,8-9H,1,6-7H2,2-4H3,(H,13,14)/b10-8+,11-9+.
What are the key properties of N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide?
N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide has a molecular weight of 193.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide is sourced from PubChem (CID 146639754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).