tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate

C15H27NO3 — CID 178156006

IUPACtert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate
SMILESC=CCCCOC1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO3/c1-6-7-8-9-18-13-10-12(11-13)16(5)14(17)19-15(2,3)4/h6,12-13H,1,7-11H2,2-5H3
InChIKeyYXHDWMLYBGVFRA-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.37
Rot. Bonds6

About tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate

tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate (PubChem CID 178156006) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate
PubChem CID178156006
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate
SMILESC=CCCCOC1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO3/c1-6-7-8-9-18-13-10-12(11-13)16(5)14(17)19-15(2,3)4/h6,12-13H,1,7-11H2,2-5H3
InChIKeyYXHDWMLYBGVFRA-UHFFFAOYSA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.37
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-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate (CID 178156006) is tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate is C=CCCCOC1CC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate?
The InChIKey is YXHDWMLYBGVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-7-8-9-18-13-10-12(11-13)16(5)14(17)19-15(2,3)4/h6,12-13H,1,7-11H2,2-5H3.
What are the key properties of tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate?
tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate has a molecular weight of 269.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate is sourced from PubChem (CID 178156006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).