N-[(Z)-but-2-enylidene]acetamide

C6H9NO — CID 154555401

IUPACN-[(Z)-but-2-enylidene]acetamide
SMILESC/C=C\C=N\C(C)=O
InChIInChI=1S/C6H9NO/c1-3-4-5-7-6(2)8/h3-5H,1-2H3/b4-3-,7-5+
InChIKeyLDGHQZVWSCGYMC-QVXLNCAUSA-N
MW111.14 g/mol
LogP1.18
Rot. Bonds1

About N-[(Z)-but-2-enylidene]acetamide

N-[(Z)-but-2-enylidene]acetamide (PubChem CID 154555401) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-[(Z)-but-2-enylidene]acetamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enylidene]acetamide
PubChem CID154555401
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-[(Z)-but-2-enylidene]acetamide
SMILESC/C=C\C=N\C(C)=O
InChIInChI=1S/C6H9NO/c1-3-4-5-7-6(2)8/h3-5H,1-2H3/b4-3-,7-5+
InChIKeyLDGHQZVWSCGYMC-QVXLNCAUSA-N
XLogP1.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enylidene]acetamide?
The IUPAC name of N-[(Z)-but-2-enylidene]acetamide (CID 154555401) is N-[(Z)-but-2-enylidene]acetamide.
What is the SMILES notation for N-[(Z)-but-2-enylidene]acetamide?
The canonical SMILES for N-[(Z)-but-2-enylidene]acetamide is C/C=C\C=N\C(C)=O.
What is the InChIKey of N-[(Z)-but-2-enylidene]acetamide?
The InChIKey is LDGHQZVWSCGYMC-QVXLNCAUSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-5-7-6(2)8/h3-5H,1-2H3/b4-3-,7-5+.
What are the key properties of N-[(Z)-but-2-enylidene]acetamide?
N-[(Z)-but-2-enylidene]acetamide has a molecular weight of 111.14 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enylidene]acetamide is sourced from PubChem (CID 154555401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).