tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate

C9H15NO3 — CID 134932449

IUPACtert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate
SMILESC=C1OC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO3/c1-6-7(5-12-6)10-8(11)13-9(2,3)4/h7H,1,5H2,2-4H3,(H,10,11)/t7-/m1/s1
InChIKeyYIGGATNEKMLTAP-SSDOTTSWSA-N
MW185.22 g/mol
LogP1.42
Rot. Bonds1

About tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate

tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate (PubChem CID 134932449) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate
PubChem CID134932449
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nametert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate
SMILESC=C1OC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO3/c1-6-7(5-12-6)10-8(11)13-9(2,3)4/h7H,1,5H2,2-4H3,(H,10,11)/t7-/m1/s1
InChIKeyYIGGATNEKMLTAP-SSDOTTSWSA-N
XLogP1.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate (CID 134932449) is tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate is C=C1OC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate?
The InChIKey is YIGGATNEKMLTAP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-7(5-12-6)10-8(11)13-9(2,3)4/h7H,1,5H2,2-4H3,(H,10,11)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate?
tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2-methylideneoxetan-3-yl]carbamate is sourced from PubChem (CID 134932449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).