tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate

C14H25NO3 — CID 178156000

IUPACtert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate
SMILESC=CCCOC1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-6-7-8-17-12-9-11(10-12)15(5)13(16)18-14(2,3)4/h6,11-12H,1,7-10H2,2-5H3
InChIKeyCFRQRMICSVFUSW-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.98
Rot. Bonds5

About tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate

tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate (PubChem CID 178156000) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate
PubChem CID178156000
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate
SMILESC=CCCOC1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-6-7-8-17-12-9-11(10-12)15(5)13(16)18-14(2,3)4/h6,11-12H,1,7-10H2,2-5H3
InChIKeyCFRQRMICSVFUSW-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate (CID 178156000) is tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate is C=CCCOC1CC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate?
The InChIKey is CFRQRMICSVFUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-7-8-17-12-9-11(10-12)15(5)13(16)18-14(2,3)4/h6,11-12H,1,7-10H2,2-5H3.
What are the key properties of tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate?
tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate has a molecular weight of 255.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate is sourced from PubChem (CID 178156000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).