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

C10H17NO2 — CID 54277191

IUPACtert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate
SMILESC=C[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-7-6-8(7)11-9(12)13-10(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyROFOIYIUNVJFOE-HTQZYQBOSA-N
MW183.25 g/mol
LogP2.09
Rot. Bonds2

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

tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate (PubChem CID 54277191) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate
PubChem CID54277191
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate
SMILESC=C[C@@H]1C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-7-6-8(7)11-9(12)13-10(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyROFOIYIUNVJFOE-HTQZYQBOSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.09
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,2S)-2-ethenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate (CID 54277191) is tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate is C=C[C@@H]1C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate?
The InChIKey is ROFOIYIUNVJFOE-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-7-6-8(7)11-9(12)13-10(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate?
tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate has a molecular weight of 183.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate is sourced from PubChem (CID 54277191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).