N-(oxolan-2-ylmethyl)cyclopropanecarboxamide

C9H15NO2 — CID 532026

IUPACN-(oxolan-2-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCC1CCCO1)C1CC1
InChIInChI=1S/C9H15NO2/c11-9(7-3-4-7)10-6-8-2-1-5-12-8/h7-8H,1-6H2,(H,10,11)
InChIKeyXWRJJSNRJZLSKA-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds3

About N-(oxolan-2-ylmethyl)cyclopropanecarboxamide

N-(oxolan-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 532026) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)cyclopropanecarboxamide
PubChem CID532026
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(oxolan-2-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCC1CCCO1)C1CC1
InChIInChI=1S/C9H15NO2/c11-9(7-3-4-7)10-6-8-2-1-5-12-8/h7-8H,1-6H2,(H,10,11)
InChIKeyXWRJJSNRJZLSKA-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)cyclopropanecarboxamide (CID 532026) is N-(oxolan-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)cyclopropanecarboxamide is O=C(NCC1CCCO1)C1CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is XWRJJSNRJZLSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(7-3-4-7)10-6-8-2-1-5-12-8/h7-8H,1-6H2,(H,10,11).
What are the key properties of N-(oxolan-2-ylmethyl)cyclopropanecarboxamide?
N-(oxolan-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 532026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).