tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate

C10H15NO4 — CID 141106101

IUPACtert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=COC(=O)C1
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7-4-5-14-8(12)6-7/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyXCFMAXUWFSCEEF-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.34
Rot. Bonds1

About tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate

tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate (PubChem CID 141106101) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate
PubChem CID141106101
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nametert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=COC(=O)C1
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7-4-5-14-8(12)6-7/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyXCFMAXUWFSCEEF-UHFFFAOYSA-N
XLogP1.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 91200148
Methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 10847813
methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 11665926
N-Boc-(+/-)-3-aminopent-4-enal
CID 87517564
tert-butyl N-[(3R)-5-oxopent-1-en-3-yl]carbamate
CID 95897949
ethyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 95898093
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 7009850
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 7021942
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10036215
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
N-Boc-(+/-)-3-aminopent-4-enoic acid
CID 10443258
methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate
CID 10692695

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate (CID 141106101) is tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate is CC(C)(C)OC(=O)NC1C=COC(=O)C1.
What is the InChIKey of tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate?
The InChIKey is XCFMAXUWFSCEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7-4-5-14-8(12)6-7/h4-5,7H,6H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate?
tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate has a molecular weight of 213.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-3,4-dihydropyran-4-yl)carbamate is sourced from PubChem (CID 141106101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).