tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate

C11H19NO2 — CID 172587185

IUPACtert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC=CC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12(4)9-7-5-6-8-9/h5-6,9H,7-8H2,1-4H3
InChIKeyQLJZDPMSJJNJTB-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.57
Rot. Bonds1

About tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate

tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate (PubChem CID 172587185) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
PubChem CID172587185
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC=CC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12(4)9-7-5-6-8-9/h5-6,9H,7-8H2,1-4H3
InChIKeyQLJZDPMSJJNJTB-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
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-cyclopent-3-en-1-yl-N-methylcarbamate?
The IUPAC name of tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate (CID 172587185) is tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate?
The canonical SMILES for tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CC=CC1.
What is the InChIKey of tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate?
The InChIKey is QLJZDPMSJJNJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12(4)9-7-5-6-8-9/h5-6,9H,7-8H2,1-4H3.
What are the key properties of tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate?
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate has a molecular weight of 197.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate is sourced from PubChem (CID 172587185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).