tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate

C10H17NO2 — CID 45092400

IUPACtert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=CCC1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyMZELDYOEBRPZKZ-QMMMGPOBSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate

tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate (PubChem CID 45092400) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate
PubChem CID45092400
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=CCC1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyMZELDYOEBRPZKZ-QMMMGPOBSA-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-[(1R)-cyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate (CID 45092400) is tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C=CCC1.
What is the InChIKey of tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate?
The InChIKey is MZELDYOEBRPZKZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate?
tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate 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-[(1R)-cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 45092400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).