tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate

C12H21NO2 — CID 91758201

IUPACtert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate
SMILESC=C[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO2/c1-5-9-7-6-8-10(9)13-11(14)15-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyHTSGDNSFEXHTTF-UWVGGRQHSA-N
MW211.30 g/mol
LogP2.87
Rot. Bonds2

About tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate

tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate (PubChem CID 91758201) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate
PubChem CID91758201
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate
SMILESC=C[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO2/c1-5-9-7-6-8-10(9)13-11(14)15-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyHTSGDNSFEXHTTF-UWVGGRQHSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.87
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-[(1S,2R)-2-ethenylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate (CID 91758201) is tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate is C=C[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate?
The InChIKey is HTSGDNSFEXHTTF-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-9-7-6-8-10(9)13-11(14)15-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate?
tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate has a molecular weight of 211.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-ethenylcyclopentyl]carbamate is sourced from PubChem (CID 91758201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).