N-(1-cyclopropyl-3-oxobutyl)acetamide

C9H15NO2 — CID 13286853

IUPACN-(1-cyclopropyl-3-oxobutyl)acetamide
SMILESCC(=O)CC(NC(C)=O)C1CC1
InChIInChI=1S/C9H15NO2/c1-6(11)5-9(8-3-4-8)10-7(2)12/h8-9H,3-5H2,1-2H3,(H,10,12)
InChIKeyZIHOTRCCEBHQKF-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.88
Rot. Bonds4

About N-(1-cyclopropyl-3-oxobutyl)acetamide

N-(1-cyclopropyl-3-oxobutyl)acetamide (PubChem CID 13286853) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(1-cyclopropyl-3-oxobutyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3-oxobutyl)acetamide
PubChem CID13286853
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(1-cyclopropyl-3-oxobutyl)acetamide
SMILESCC(=O)CC(NC(C)=O)C1CC1
InChIInChI=1S/C9H15NO2/c1-6(11)5-9(8-3-4-8)10-7(2)12/h8-9H,3-5H2,1-2H3,(H,10,12)
InChIKeyZIHOTRCCEBHQKF-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3-oxobutyl)acetamide?
The IUPAC name of N-(1-cyclopropyl-3-oxobutyl)acetamide (CID 13286853) is N-(1-cyclopropyl-3-oxobutyl)acetamide.
What is the SMILES notation for N-(1-cyclopropyl-3-oxobutyl)acetamide?
The canonical SMILES for N-(1-cyclopropyl-3-oxobutyl)acetamide is CC(=O)CC(NC(C)=O)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-3-oxobutyl)acetamide?
The InChIKey is ZIHOTRCCEBHQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(11)5-9(8-3-4-8)10-7(2)12/h8-9H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-(1-cyclopropyl-3-oxobutyl)acetamide?
N-(1-cyclopropyl-3-oxobutyl)acetamide has a molecular weight of 169.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3-oxobutyl)acetamide is sourced from PubChem (CID 13286853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).