N-hexa-1,3,5-trien-3-ylbutanamide

C10H15NO — CID 123411971

IUPACN-hexa-1,3,5-trien-3-ylbutanamide
SMILESC=CC=C(C=C)NC(=O)CCC
InChIInChI=1S/C10H15NO/c1-4-7-9(6-3)11-10(12)8-5-2/h4,6-7H,1,3,5,8H2,2H3,(H,11,12)
InChIKeyHAGIKFCJZARUEM-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.16
Rot. Bonds5

About N-hexa-1,3,5-trien-3-ylbutanamide

N-hexa-1,3,5-trien-3-ylbutanamide (PubChem CID 123411971) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-hexa-1,3,5-trien-3-ylbutanamide.

Molecular Properties

Compound NameN-hexa-1,3,5-trien-3-ylbutanamide
PubChem CID123411971
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-hexa-1,3,5-trien-3-ylbutanamide
SMILESC=CC=C(C=C)NC(=O)CCC
InChIInChI=1S/C10H15NO/c1-4-7-9(6-3)11-10(12)8-5-2/h4,6-7H,1,3,5,8H2,2H3,(H,11,12)
InChIKeyHAGIKFCJZARUEM-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.16
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-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide
CID 89418444
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 122651083
N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide
CID 123770747
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
N-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]-3-oxobutanamide
CID 145550627
palladium;N-phenylacetamide
CID 134952113
lithium N-phenylacetamide
CID 139213726

Frequently Asked Questions

What is the IUPAC name of N-hexa-1,3,5-trien-3-ylbutanamide?
The IUPAC name of N-hexa-1,3,5-trien-3-ylbutanamide (CID 123411971) is N-hexa-1,3,5-trien-3-ylbutanamide.
What is the SMILES notation for N-hexa-1,3,5-trien-3-ylbutanamide?
The canonical SMILES for N-hexa-1,3,5-trien-3-ylbutanamide is C=CC=C(C=C)NC(=O)CCC.
What is the InChIKey of N-hexa-1,3,5-trien-3-ylbutanamide?
The InChIKey is HAGIKFCJZARUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-7-9(6-3)11-10(12)8-5-2/h4,6-7H,1,3,5,8H2,2H3,(H,11,12).
What are the key properties of N-hexa-1,3,5-trien-3-ylbutanamide?
N-hexa-1,3,5-trien-3-ylbutanamide has a molecular weight of 165.24 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,3,5-trien-3-ylbutanamide is sourced from PubChem (CID 123411971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).