2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate

C15H19NO3 — CID 102321130

IUPAC2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC[C@]12CCCC[C@H]1O2
InChIInChI=1S/C15H19NO3/c17-14(16-12-6-2-1-3-7-12)18-11-10-15-9-5-4-8-13(15)19-15/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)/t13-,15-/m1/s1
InChIKeyNNYUPBMEJYWRCP-UKRRQHHQSA-N
MW261.32 g/mol
LogP3.34
Rot. Bonds4

About 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate

2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate (PubChem CID 102321130) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate
PubChem CID102321130
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC[C@]12CCCC[C@H]1O2
InChIInChI=1S/C15H19NO3/c17-14(16-12-6-2-1-3-7-12)18-11-10-15-9-5-4-8-13(15)19-15/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)/t13-,15-/m1/s1
InChIKeyNNYUPBMEJYWRCP-UKRRQHHQSA-N
XLogP3.34
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate
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molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
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3-methylbutyl N-phenylcarbamate
CID 69480810
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
2-ethoxyethyl N-phenylcarbamate
CID 4101389
2-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl N-phenylcarbamate
CID 11873349
[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-phenylcarbamate
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2-nitroethyl N-phenylcarbamate
CID 154110399

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate?
The IUPAC name of 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate (CID 102321130) is 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate.
What is the SMILES notation for 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate?
The canonical SMILES for 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCC[C@]12CCCC[C@H]1O2.
What is the InChIKey of 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate?
The InChIKey is NNYUPBMEJYWRCP-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(16-12-6-2-1-3-7-12)18-11-10-15-9-5-4-8-13(15)19-15/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)/t13-,15-/m1/s1.
What are the key properties of 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate?
2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate has a molecular weight of 261.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethyl N-phenylcarbamate is sourced from PubChem (CID 102321130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).