tert-butyl N-cyclopent-3-en-1-ylcarbamate

C10H17NO2 — CID 2756764

IUPACtert-butyl N-cyclopent-3-en-1-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC=CC1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3,(H,11,12)
InChIKeyQPKZZWRUFCUFEI-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl N-cyclopent-3-en-1-ylcarbamate

tert-butyl N-cyclopent-3-en-1-ylcarbamate (PubChem CID 2756764) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-cyclopent-3-en-1-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopent-3-en-1-ylcarbamate
PubChem CID2756764
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-cyclopent-3-en-1-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC=CC1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3,(H,11,12)
InChIKeyQPKZZWRUFCUFEI-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.23
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-cyclopent-3-en-1-ylcarbamate?
The IUPAC name of tert-butyl N-cyclopent-3-en-1-ylcarbamate (CID 2756764) is tert-butyl N-cyclopent-3-en-1-ylcarbamate.
What is the SMILES notation for tert-butyl N-cyclopent-3-en-1-ylcarbamate?
The canonical SMILES for tert-butyl N-cyclopent-3-en-1-ylcarbamate is CC(C)(C)OC(=O)NC1CC=CC1.
What is the InChIKey of tert-butyl N-cyclopent-3-en-1-ylcarbamate?
The InChIKey is QPKZZWRUFCUFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-cyclopent-3-en-1-ylcarbamate?
tert-butyl N-cyclopent-3-en-1-ylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopent-3-en-1-ylcarbamate is sourced from PubChem (CID 2756764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).