tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate

C13H21NO3 — CID 10977532

IUPACtert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@H]1C=C[C@H](O)C1
InChIInChI=1S/C13H21NO3/c1-5-8-14(10-6-7-11(15)9-10)12(16)17-13(2,3)4/h5-7,10-11,15H,1,8-9H2,2-4H3/t10-,11-/m0/s1
InChIKeyNGZNSMPWSGAIJO-QWRGUYRKSA-N
MW239.31 g/mol
LogP2.10
Rot. Bonds3

About tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate (PubChem CID 10977532) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
PubChem CID10977532
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@H]1C=C[C@H](O)C1
InChIInChI=1S/C13H21NO3/c1-5-8-14(10-6-7-11(15)9-10)12(16)17-13(2,3)4/h5-7,10-11,15H,1,8-9H2,2-4H3/t10-,11-/m0/s1
InChIKeyNGZNSMPWSGAIJO-QWRGUYRKSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate (CID 10977532) is tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)[C@H]1C=C[C@H](O)C1.
What is the InChIKey of tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate?
The InChIKey is NGZNSMPWSGAIJO-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-8-14(10-6-7-11(15)9-10)12(16)17-13(2,3)4/h5-7,10-11,15H,1,8-9H2,2-4H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate has a molecular weight of 239.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 10977532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).