tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate

C13H21NO3 — CID 145340440

IUPACtert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate
SMILESC=CC1=C(C)CC(NC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C13H21NO3/c1-6-11-9(2)7-10(8-16-11)14-12(15)17-13(3,4)5/h6,10H,1,7-8H2,2-5H3,(H,14,15)
InChIKeyYGRHBMRXLACLJE-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.76
Rot. Bonds2

About tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate

tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate (PubChem CID 145340440) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate
PubChem CID145340440
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate
SMILESC=CC1=C(C)CC(NC(=O)OC(C)(C)C)CO1
InChIInChI=1S/C13H21NO3/c1-6-11-9(2)7-10(8-16-11)14-12(15)17-13(3,4)5/h6,10H,1,7-8H2,2-5H3,(H,14,15)
InChIKeyYGRHBMRXLACLJE-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate (CID 145340440) is tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate is C=CC1=C(C)CC(NC(=O)OC(C)(C)C)CO1.
What is the InChIKey of tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate?
The InChIKey is YGRHBMRXLACLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-6-11-9(2)7-10(8-16-11)14-12(15)17-13(3,4)5/h6,10H,1,7-8H2,2-5H3,(H,14,15).
What are the key properties of tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate?
tert-butyl N-(6-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate has a molecular weight of 239.31 g/mol, XLogP of 2.76, 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-ethenyl-5-methyl-3,4-dihydro-2H-pyran-3-yl)carbamate is sourced from PubChem (CID 145340440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).