tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate

C12H21NO3 — CID 85373698

IUPACtert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate
SMILESCCC1C=CC(N(O)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-5-9-6-7-10(8-9)13(15)11(14)16-12(2,3)4/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyOCSDVHWJAXEETQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate

tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate (PubChem CID 85373698) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate
PubChem CID85373698
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate
SMILESCCC1C=CC(N(O)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-5-9-6-7-10(8-9)13(15)11(14)16-12(2,3)4/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyOCSDVHWJAXEETQ-UHFFFAOYSA-N
XLogP2.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
CID 101466013
tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
CID 101466009
tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate
CID 42642819
tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate
CID 163452966
tert-butyl N-[(3-hydroxy-6-bicyclo[3.1.0]hexanyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 154696883
tert-butyl N-(3-amino-2,3-dimethylbutan-2-yl)-N-ethylcarbamate
CID 134314514
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205
tert-butyl (2S,4S)-2-acetyl-4-ethylpyrrolidine-1-carboxylate
CID 90244791
methyl (1R,4R)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopent-2-ene-1-carboxylate
CID 160681857
tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate
CID 87963797
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate (CID 85373698) is tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate is CCC1C=CC(N(O)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate?
The InChIKey is OCSDVHWJAXEETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-9-6-7-10(8-9)13(15)11(14)16-12(2,3)4/h6-7,9-10,15H,5,8H2,1-4H3.
What are the key properties of tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate?
tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate has a molecular weight of 227.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate is sourced from PubChem (CID 85373698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).