N-[(E)-3,3-dimethylbut-1-enyl]acetamide

C8H15NO — CID 55299513

IUPACN-[(E)-3,3-dimethylbut-1-enyl]acetamide
SMILESCC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C8H15NO/c1-7(10)9-6-5-8(2,3)4/h5-6H,1-4H3,(H,9,10)/b6-5+
InChIKeyYBBHNUKJGFPPEU-AATRIKPKSA-N
MW141.21 g/mol
LogP1.68
Rot. Bonds1

About N-[(E)-3,3-dimethylbut-1-enyl]acetamide

N-[(E)-3,3-dimethylbut-1-enyl]acetamide (PubChem CID 55299513) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-[(E)-3,3-dimethylbut-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3,3-dimethylbut-1-enyl]acetamide
PubChem CID55299513
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-[(E)-3,3-dimethylbut-1-enyl]acetamide
SMILESCC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C8H15NO/c1-7(10)9-6-5-8(2,3)4/h5-6H,1-4H3,(H,9,10)/b6-5+
InChIKeyYBBHNUKJGFPPEU-AATRIKPKSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3-dimethylbut-1-enyl]acetamide?
The IUPAC name of N-[(E)-3,3-dimethylbut-1-enyl]acetamide (CID 55299513) is N-[(E)-3,3-dimethylbut-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-3,3-dimethylbut-1-enyl]acetamide?
The canonical SMILES for N-[(E)-3,3-dimethylbut-1-enyl]acetamide is CC(=O)N/C=C/C(C)(C)C.
What is the InChIKey of N-[(E)-3,3-dimethylbut-1-enyl]acetamide?
The InChIKey is YBBHNUKJGFPPEU-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(10)9-6-5-8(2,3)4/h5-6H,1-4H3,(H,9,10)/b6-5+.
What are the key properties of N-[(E)-3,3-dimethylbut-1-enyl]acetamide?
N-[(E)-3,3-dimethylbut-1-enyl]acetamide has a molecular weight of 141.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3-dimethylbut-1-enyl]acetamide is sourced from PubChem (CID 55299513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).