N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide

C7H13NO2 — CID 155029833

IUPACN-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\O)C(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)7(4-9)8-6(3)10/h4-5,9H,1-3H3,(H,8,10)/b7-4-
InChIKeyBFXBAFVKQPTTRW-DAXSKMNVSA-N
MW143.19 g/mol
LogP1.18
Rot. Bonds2

About N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide

N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide (PubChem CID 155029833) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide
PubChem CID155029833
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\O)C(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)7(4-9)8-6(3)10/h4-5,9H,1-3H3,(H,8,10)/b7-4-
InChIKeyBFXBAFVKQPTTRW-DAXSKMNVSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide (CID 155029833) is N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide is CC(=O)N/C(=C\O)C(C)C.
What is the InChIKey of N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide?
The InChIKey is BFXBAFVKQPTTRW-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)7(4-9)8-6(3)10/h4-5,9H,1-3H3,(H,8,10)/b7-4-.
What are the key properties of N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide?
N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide has a molecular weight of 143.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-hydroxy-3-methylbut-1-en-2-yl]acetamide is sourced from PubChem (CID 155029833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).