phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate

C14H18N2O3 — CID 66212704

IUPACphenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate
SMILESNC1C2CCCOC2C1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H18N2O3/c15-11-10-7-4-8-18-13(10)12(11)16-14(17)19-9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8,15H2,(H,16,17)
InChIKeyCJYHIHSPHHGELB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.28
Rot. Bonds2

About phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate

phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate (PubChem CID 66212704) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate
PubChem CID66212704
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namephenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate
SMILESNC1C2CCCOC2C1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H18N2O3/c15-11-10-7-4-8-18-13(10)12(11)16-14(17)19-9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8,15H2,(H,16,17)
InChIKeyCJYHIHSPHHGELB-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate?
The IUPAC name of phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate (CID 66212704) is phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate.
What is the SMILES notation for phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate?
The canonical SMILES for phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate is NC1C2CCCOC2C1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate?
The InChIKey is CJYHIHSPHHGELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-11-10-7-4-8-18-13(10)12(11)16-14(17)19-9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8,15H2,(H,16,17).
What are the key properties of phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate?
phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate has a molecular weight of 262.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate is sourced from PubChem (CID 66212704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).