tert-butyl N-(6-ethenyloxan-3-yl)carbamate

C12H21NO3 — CID 66740056

IUPACtert-butyl N-(6-ethenyloxan-3-yl)carbamate
SMILESC=CC1CCC(NC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C12H21NO3/c1-5-10-7-6-9(8-15-10)13-11(14)16-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyBGPQBSLWCUUQJR-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl N-(6-ethenyloxan-3-yl)carbamate

tert-butyl N-(6-ethenyloxan-3-yl)carbamate (PubChem CID 66740056) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-(6-ethenyloxan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-ethenyloxan-3-yl)carbamate
PubChem CID66740056
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-(6-ethenyloxan-3-yl)carbamate
SMILESC=CC1CCC(NC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C12H21NO3/c1-5-10-7-6-9(8-15-10)13-11(14)16-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyBGPQBSLWCUUQJR-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-ethenyloxan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-ethenyloxan-3-yl)carbamate (CID 66740056) is tert-butyl N-(6-ethenyloxan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-ethenyloxan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-ethenyloxan-3-yl)carbamate is C=CC1CCC(NC(=O)OC(C)(C)C)CO1.
What is the InChIKey of tert-butyl N-(6-ethenyloxan-3-yl)carbamate?
The InChIKey is BGPQBSLWCUUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-10-7-6-9(8-15-10)13-11(14)16-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,14).
What are the key properties of tert-butyl N-(6-ethenyloxan-3-yl)carbamate?
tert-butyl N-(6-ethenyloxan-3-yl)carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-ethenyloxan-3-yl)carbamate is sourced from PubChem (CID 66740056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).