tert-butyl N-(3-formylcyclobutyl)carbamate

C10H17NO3 — CID 45091922

IUPACtert-butyl N-(3-formylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C=O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-8-4-7(5-8)6-12/h6-8H,4-5H2,1-3H3,(H,11,13)
InChIKeyKHXUZWUXKMBGES-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.49
Rot. Bonds2

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

tert-butyl N-(3-formylcyclobutyl)carbamate (PubChem CID 45091922) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-(3-formylcyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-formylcyclobutyl)carbamate
PubChem CID45091922
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl N-(3-formylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C=O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-8-4-7(5-8)6-12/h6-8H,4-5H2,1-3H3,(H,11,13)
InChIKeyKHXUZWUXKMBGES-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-formylcyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3-formylcyclobutyl)carbamate (CID 45091922) is tert-butyl N-(3-formylcyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-formylcyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-formylcyclobutyl)carbamate is CC(C)(C)OC(=O)NC1CC(C=O)C1.
What is the InChIKey of tert-butyl N-(3-formylcyclobutyl)carbamate?
The InChIKey is KHXUZWUXKMBGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-8-4-7(5-8)6-12/h6-8H,4-5H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(3-formylcyclobutyl)carbamate?
tert-butyl N-(3-formylcyclobutyl)carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-formylcyclobutyl)carbamate is sourced from PubChem (CID 45091922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).