tert-butyl N-(3-oxocyclobutyl)carbamate

C9H15NO3 — CID 23374584

IUPACtert-butyl N-(3-oxocyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyFNHPTFKSPUTESA-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.24
Rot. Bonds1

About tert-butyl N-(3-oxocyclobutyl)carbamate

tert-butyl N-(3-oxocyclobutyl)carbamate (PubChem CID 23374584) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is tert-butyl N-(3-oxocyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-oxocyclobutyl)carbamate
PubChem CID23374584
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nametert-butyl N-(3-oxocyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyFNHPTFKSPUTESA-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-oxocyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3-oxocyclobutyl)carbamate (CID 23374584) is tert-butyl N-(3-oxocyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-oxocyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-oxocyclobutyl)carbamate is CC(C)(C)OC(=O)NC1CC(=O)C1.
What is the InChIKey of tert-butyl N-(3-oxocyclobutyl)carbamate?
The InChIKey is FNHPTFKSPUTESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-(3-oxocyclobutyl)carbamate?
tert-butyl N-(3-oxocyclobutyl)carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-oxocyclobutyl)carbamate is sourced from PubChem (CID 23374584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).