tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate

C11H17NO4 — CID 138375863

IUPACtert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate
SMILESC=C1CC(NC(=O)OC(C)(C)C)CC(=O)O1
InChIInChI=1S/C11H17NO4/c1-7-5-8(6-9(13)15-7)12-10(14)16-11(2,3)4/h8H,1,5-6H2,2-4H3,(H,12,14)
InChIKeyNUTURDDXPPQZNL-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.73
Rot. Bonds1

About tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate

tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate (PubChem CID 138375863) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate
PubChem CID138375863
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nametert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate
SMILESC=C1CC(NC(=O)OC(C)(C)C)CC(=O)O1
InChIInChI=1S/C11H17NO4/c1-7-5-8(6-9(13)15-7)12-10(14)16-11(2,3)4/h8H,1,5-6H2,2-4H3,(H,12,14)
InChIKeyNUTURDDXPPQZNL-UHFFFAOYSA-N
XLogP1.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(3,3-dimethyl-5-oxocyclohexyl)carbamate
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tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
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tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
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tert-butyl N-[(3aR,6R,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-6-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate (CID 138375863) is tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate is C=C1CC(NC(=O)OC(C)(C)C)CC(=O)O1.
What is the InChIKey of tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate?
The InChIKey is NUTURDDXPPQZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7-5-8(6-9(13)15-7)12-10(14)16-11(2,3)4/h8H,1,5-6H2,2-4H3,(H,12,14).
What are the key properties of tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate?
tert-butyl N-(2-methylidene-6-oxooxan-4-yl)carbamate has a molecular weight of 227.26 g/mol, XLogP of 1.73, 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-methylidene-6-oxooxan-4-yl)carbamate is sourced from PubChem (CID 138375863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).