N-[(Z)-hex-1-en-3-ynyl]acetamide

C8H11NO — CID 129264041

IUPACN-[(Z)-hex-1-en-3-ynyl]acetamide
SMILESCCC#C/C=C\NC(C)=O
InChIInChI=1S/C8H11NO/c1-3-4-5-6-7-9-8(2)10/h6-7H,3H2,1-2H3,(H,9,10)/b7-6-
InChIKeyAYDVTFFQZABFBA-SREVYHEPSA-N
MW137.18 g/mol
LogP1.05
Rot. Bonds1

About N-[(Z)-hex-1-en-3-ynyl]acetamide

N-[(Z)-hex-1-en-3-ynyl]acetamide (PubChem CID 129264041) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-[(Z)-hex-1-en-3-ynyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-hex-1-en-3-ynyl]acetamide
PubChem CID129264041
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-[(Z)-hex-1-en-3-ynyl]acetamide
SMILESCCC#C/C=C\NC(C)=O
InChIInChI=1S/C8H11NO/c1-3-4-5-6-7-9-8(2)10/h6-7H,3H2,1-2H3,(H,9,10)/b7-6-
InChIKeyAYDVTFFQZABFBA-SREVYHEPSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-1-en-3-ynyl]acetamide?
The IUPAC name of N-[(Z)-hex-1-en-3-ynyl]acetamide (CID 129264041) is N-[(Z)-hex-1-en-3-ynyl]acetamide.
What is the SMILES notation for N-[(Z)-hex-1-en-3-ynyl]acetamide?
The canonical SMILES for N-[(Z)-hex-1-en-3-ynyl]acetamide is CCC#C/C=C\NC(C)=O.
What is the InChIKey of N-[(Z)-hex-1-en-3-ynyl]acetamide?
The InChIKey is AYDVTFFQZABFBA-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-4-5-6-7-9-8(2)10/h6-7H,3H2,1-2H3,(H,9,10)/b7-6-.
What are the key properties of N-[(Z)-hex-1-en-3-ynyl]acetamide?
N-[(Z)-hex-1-en-3-ynyl]acetamide has a molecular weight of 137.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-1-en-3-ynyl]acetamide is sourced from PubChem (CID 129264041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).