N-hexa-1,5-dien-3-ylbut-3-enamide

C10H15NO — CID 173296191

IUPACN-hexa-1,5-dien-3-ylbut-3-enamide
SMILESC=CCC(=O)NC(C=C)CC=C
InChIInChI=1S/C10H15NO/c1-4-7-9(6-3)11-10(12)8-5-2/h4-6,9H,1-3,7-8H2,(H,11,12)
InChIKeyNKEUHEIAESDEGK-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.81
Rot. Bonds6

About N-hexa-1,5-dien-3-ylbut-3-enamide

N-hexa-1,5-dien-3-ylbut-3-enamide (PubChem CID 173296191) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-hexa-1,5-dien-3-ylbut-3-enamide.

Molecular Properties

Compound NameN-hexa-1,5-dien-3-ylbut-3-enamide
PubChem CID173296191
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-hexa-1,5-dien-3-ylbut-3-enamide
SMILESC=CCC(=O)NC(C=C)CC=C
InChIInChI=1S/C10H15NO/c1-4-7-9(6-3)11-10(12)8-5-2/h4-6,9H,1-3,7-8H2,(H,11,12)
InChIKeyNKEUHEIAESDEGK-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11804686
N-[(2R)-1-hydroxybutan-2-yl]but-3-enamide
CID 104868905
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492
N-hexa-1,5-dien-3-ylformamide
CID 90777860
N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide
CID 173239757
N-methylbut-3-enamide
CID 13113546
2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide
CID 154931454
N-hex-1-en-3-ylpropanamide
CID 54131480
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
(2R)-2-(but-3-enoylamino)-2-phenylacetic acid
CID 62679483
5-amino-2-(but-3-enoylamino)-5-oxopentanoic acid
CID 62685356
methanol;molecular hydrogen;N-[(2S)-1-oxopent-4-en-2-yl]acetamide
CID 143137102

Frequently Asked Questions

What is the IUPAC name of N-hexa-1,5-dien-3-ylbut-3-enamide?
The IUPAC name of N-hexa-1,5-dien-3-ylbut-3-enamide (CID 173296191) is N-hexa-1,5-dien-3-ylbut-3-enamide.
What is the SMILES notation for N-hexa-1,5-dien-3-ylbut-3-enamide?
The canonical SMILES for N-hexa-1,5-dien-3-ylbut-3-enamide is C=CCC(=O)NC(C=C)CC=C.
What is the InChIKey of N-hexa-1,5-dien-3-ylbut-3-enamide?
The InChIKey is NKEUHEIAESDEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-7-9(6-3)11-10(12)8-5-2/h4-6,9H,1-3,7-8H2,(H,11,12).
What are the key properties of N-hexa-1,5-dien-3-ylbut-3-enamide?
N-hexa-1,5-dien-3-ylbut-3-enamide has a molecular weight of 165.24 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,5-dien-3-ylbut-3-enamide is sourced from PubChem (CID 173296191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).