tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate

C10H15NO3 — CID 100954112

IUPACtert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC=CC1=O
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h4,6-7H,5H2,1-3H3,(H,11,13)/t7-/m1/s1
InChIKeyWRWWRZKGSMOPRP-SSDOTTSWSA-N
MW197.23 g/mol
LogP1.41
Rot. Bonds1

About tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate

tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate (PubChem CID 100954112) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate
PubChem CID100954112
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nametert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC=CC1=O
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h4,6-7H,5H2,1-3H3,(H,11,13)/t7-/m1/s1
InChIKeyWRWWRZKGSMOPRP-SSDOTTSWSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate (CID 100954112) is tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC=CC1=O.
What is the InChIKey of tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate?
The InChIKey is WRWWRZKGSMOPRP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h4,6-7H,5H2,1-3H3,(H,11,13)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate?
tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate has a molecular weight of 197.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate is sourced from PubChem (CID 100954112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).