N-(3-methylbut-2-enyl)acetamide

C7H13NO — CID 550766

IUPACN-(3-methylbut-2-enyl)acetamide
SMILESCC(=O)NCC=C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)4-5-8-7(3)9/h4H,5H2,1-3H3,(H,8,9)
InChIKeyHMFQZRAOCARFRS-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds2

About N-(3-methylbut-2-enyl)acetamide

N-(3-methylbut-2-enyl)acetamide (PubChem CID 550766) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)acetamide
PubChem CID550766
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(3-methylbut-2-enyl)acetamide
SMILESCC(=O)NCC=C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)4-5-8-7(3)9/h4H,5H2,1-3H3,(H,8,9)
InChIKeyHMFQZRAOCARFRS-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)acetamide?
The IUPAC name of N-(3-methylbut-2-enyl)acetamide (CID 550766) is N-(3-methylbut-2-enyl)acetamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)acetamide?
The canonical SMILES for N-(3-methylbut-2-enyl)acetamide is CC(=O)NCC=C(C)C.
What is the InChIKey of N-(3-methylbut-2-enyl)acetamide?
The InChIKey is HMFQZRAOCARFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)4-5-8-7(3)9/h4H,5H2,1-3H3,(H,8,9).
What are the key properties of N-(3-methylbut-2-enyl)acetamide?
N-(3-methylbut-2-enyl)acetamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 550766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).