tert-butyl N-(3-methylidenecyclobutyl)carbamate

C10H17NO2 — CID 28875369

IUPACtert-butyl N-(3-methylidenecyclobutyl)carbamate
SMILESC=C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H17NO2/c1-7-5-8(6-7)11-9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3,(H,11,12)
InChIKeyUKVCZCZNTKQCCW-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds1

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

tert-butyl N-(3-methylidenecyclobutyl)carbamate (PubChem CID 28875369) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-(3-methylidenecyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methylidenecyclobutyl)carbamate
PubChem CID28875369
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-(3-methylidenecyclobutyl)carbamate
SMILESC=C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H17NO2/c1-7-5-8(6-7)11-9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3,(H,11,12)
InChIKeyUKVCZCZNTKQCCW-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methylidenecyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3-methylidenecyclobutyl)carbamate (CID 28875369) is tert-butyl N-(3-methylidenecyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methylidenecyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-methylidenecyclobutyl)carbamate is C=C1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(3-methylidenecyclobutyl)carbamate?
The InChIKey is UKVCZCZNTKQCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-5-8(6-7)11-9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3,(H,11,12).
What are the key properties of tert-butyl N-(3-methylidenecyclobutyl)carbamate?
tert-butyl N-(3-methylidenecyclobutyl)carbamate has a molecular weight of 183.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methylidenecyclobutyl)carbamate is sourced from PubChem (CID 28875369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).