N-[(Z)-but-2-enyl]hexanamide

C10H19NO — CID 89046828

IUPACN-[(Z)-but-2-enyl]hexanamide
SMILESC/C=C\CNC(=O)CCCCC
InChIInChI=1S/C10H19NO/c1-3-5-7-8-10(12)11-9-6-4-2/h4,6H,3,5,7-9H2,1-2H3,(H,11,12)/b6-4-
InChIKeyWIUPSGSPSWWVQY-XQRVVYSFSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds6

About N-[(Z)-but-2-enyl]hexanamide

N-[(Z)-but-2-enyl]hexanamide (PubChem CID 89046828) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]hexanamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]hexanamide
PubChem CID89046828
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(Z)-but-2-enyl]hexanamide
SMILESC/C=C\CNC(=O)CCCCC
InChIInChI=1S/C10H19NO/c1-3-5-7-8-10(12)11-9-6-4-2/h4,6H,3,5,7-9H2,1-2H3,(H,11,12)/b6-4-
InChIKeyWIUPSGSPSWWVQY-XQRVVYSFSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enyl]hexanamide?
The IUPAC name of N-[(Z)-but-2-enyl]hexanamide (CID 89046828) is N-[(Z)-but-2-enyl]hexanamide.
What is the SMILES notation for N-[(Z)-but-2-enyl]hexanamide?
The canonical SMILES for N-[(Z)-but-2-enyl]hexanamide is C/C=C\CNC(=O)CCCCC.
What is the InChIKey of N-[(Z)-but-2-enyl]hexanamide?
The InChIKey is WIUPSGSPSWWVQY-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-7-8-10(12)11-9-6-4-2/h4,6H,3,5,7-9H2,1-2H3,(H,11,12)/b6-4-.
What are the key properties of N-[(Z)-but-2-enyl]hexanamide?
N-[(Z)-but-2-enyl]hexanamide has a molecular weight of 169.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]hexanamide is sourced from PubChem (CID 89046828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).