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

C11H17NO — CID 142929287

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide
SMILESC=C/C=C\C(=C/C)NC(=O)CCC
InChIInChI=1S/C11H17NO/c1-4-7-9-10(6-3)12-11(13)8-5-2/h4,6-7,9H,1,5,8H2,2-3H3,(H,12,13)/b9-7-,10-6+
InChIKeyQCARHZCWRLHCGU-ODUODFHUSA-N
MW179.26 g/mol
LogP2.55
Rot. Bonds5

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

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide (PubChem CID 142929287) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide
PubChem CID142929287
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide
SMILESC=C/C=C\C(=C/C)NC(=O)CCC
InChIInChI=1S/C11H17NO/c1-4-7-9-10(6-3)12-11(13)8-5-2/h4,6-7,9H,1,5,8H2,2-3H3,(H,12,13)/b9-7-,10-6+
InChIKeyQCARHZCWRLHCGU-ODUODFHUSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.55
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-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 44386440
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 122651083
N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide
CID 123529240
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
CID 129044140
N-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]acetamide
CID 142251873
N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
CID 143108414
N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide
CID 144539049
N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide
CID 145422849
palladium;N-phenylacetamide
CID 134952113
lithium N-phenylacetamide
CID 139213726
N-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 141929066
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]propanamide
CID 144482461

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide (CID 142929287) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide is C=C/C=C\C(=C/C)NC(=O)CCC.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide?
The InChIKey is QCARHZCWRLHCGU-ODUODFHUSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-7-9-10(6-3)12-11(13)8-5-2/h4,6-7,9H,1,5,8H2,2-3H3,(H,12,13)/b9-7-,10-6+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]butanamide has a molecular weight of 179.26 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]butanamide is sourced from PubChem (CID 142929287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).