N-(2-oxooxolan-3-yl)cyclobutanecarboxamide

C9H13NO3 — CID 126998200

IUPACN-(2-oxooxolan-3-yl)cyclobutanecarboxamide
SMILESO=C(NC1CCOC1=O)C1CCC1
InChIInChI=1S/C9H13NO3/c11-8(6-2-1-3-6)10-7-4-5-13-9(7)12/h6-7H,1-5H2,(H,10,11)
InChIKeyAATBXQSDZWZPKZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.22
Rot. Bonds2

About N-(2-oxooxolan-3-yl)cyclobutanecarboxamide

N-(2-oxooxolan-3-yl)cyclobutanecarboxamide (PubChem CID 126998200) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)cyclobutanecarboxamide
PubChem CID126998200
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-(2-oxooxolan-3-yl)cyclobutanecarboxamide
SMILESO=C(NC1CCOC1=O)C1CCC1
InChIInChI=1S/C9H13NO3/c11-8(6-2-1-3-6)10-7-4-5-13-9(7)12/h6-7H,1-5H2,(H,10,11)
InChIKeyAATBXQSDZWZPKZ-UHFFFAOYSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxooxolan-3-yl)cyclobutanecarboxamide?
The IUPAC name of N-(2-oxooxolan-3-yl)cyclobutanecarboxamide (CID 126998200) is N-(2-oxooxolan-3-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-oxooxolan-3-yl)cyclobutanecarboxamide is O=C(NC1CCOC1=O)C1CCC1.
What is the InChIKey of N-(2-oxooxolan-3-yl)cyclobutanecarboxamide?
The InChIKey is AATBXQSDZWZPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8(6-2-1-3-6)10-7-4-5-13-9(7)12/h6-7H,1-5H2,(H,10,11).
What are the key properties of N-(2-oxooxolan-3-yl)cyclobutanecarboxamide?
N-(2-oxooxolan-3-yl)cyclobutanecarboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxolan-3-yl)cyclobutanecarboxamide is sourced from PubChem (CID 126998200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).