N-[1-(2-methylpropanoyl)cyclopropyl]acetamide

C9H15NO2 — CID 176582512

IUPACN-[1-(2-methylpropanoyl)cyclopropyl]acetamide
SMILESCC(=O)NC1(C(=O)C(C)C)CC1
InChIInChI=1S/C9H15NO2/c1-6(2)8(12)9(4-5-9)10-7(3)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyKQDIUJWMXJHYMB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.88
Rot. Bonds3

About N-[1-(2-methylpropanoyl)cyclopropyl]acetamide

N-[1-(2-methylpropanoyl)cyclopropyl]acetamide (PubChem CID 176582512) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)cyclopropyl]acetamide
PubChem CID176582512
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[1-(2-methylpropanoyl)cyclopropyl]acetamide
SMILESCC(=O)NC1(C(=O)C(C)C)CC1
InChIInChI=1S/C9H15NO2/c1-6(2)8(12)9(4-5-9)10-7(3)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyKQDIUJWMXJHYMB-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2-methylpropanoyl)cyclopropyl]acetamide?
The IUPAC name of N-[1-(2-methylpropanoyl)cyclopropyl]acetamide (CID 176582512) is N-[1-(2-methylpropanoyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)cyclopropyl]acetamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)cyclopropyl]acetamide is CC(=O)NC1(C(=O)C(C)C)CC1.
What is the InChIKey of N-[1-(2-methylpropanoyl)cyclopropyl]acetamide?
The InChIKey is KQDIUJWMXJHYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)8(12)9(4-5-9)10-7(3)11/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-[1-(2-methylpropanoyl)cyclopropyl]acetamide?
N-[1-(2-methylpropanoyl)cyclopropyl]acetamide has a molecular weight of 169.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)cyclopropyl]acetamide is sourced from PubChem (CID 176582512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).