tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate

C13H23NO2 — CID 66615279

IUPACtert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate
SMILESC=CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO2/c1-5-6-10-7-8-11(9-10)14-12(15)16-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyZNHGWXDWZAQCMD-GHMZBOCLSA-N
MW225.33 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate

tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate (PubChem CID 66615279) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate
PubChem CID66615279
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate
SMILESC=CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO2/c1-5-6-10-7-8-11(9-10)14-12(15)16-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyZNHGWXDWZAQCMD-GHMZBOCLSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate (CID 66615279) is tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate is C=CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate?
The InChIKey is ZNHGWXDWZAQCMD-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-6-10-7-8-11(9-10)14-12(15)16-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate?
tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-prop-2-enylcyclopentyl]carbamate is sourced from PubChem (CID 66615279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).