[cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate

C14H17BN2O4 — CID 66579195

IUPAC[cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OB(OC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H17BN2O4/c18-13(16-11-6-7-11)20-15(10-4-2-1-3-5-10)21-14(19)17-12-8-9-12/h1-5,11-12H,6-9H2,(H,16,18)(H,17,19)
InChIKeyWGEOKKDZZYPOIO-UHFFFAOYSA-N
MW288.11 g/mol
LogP1.16
Rot. Bonds5

About [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate

[cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate (PubChem CID 66579195) has the molecular formula C14H17BN2O4 and a molecular weight of 288.11 g/mol. Its IUPAC name is [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate.

Molecular Properties

Compound Name[cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate
PubChem CID66579195
Molecular FormulaC14H17BN2O4
Molecular Weight288.11 g/mol
Exact Mass288.13
IUPAC Name[cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OB(OC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H17BN2O4/c18-13(16-11-6-7-11)20-15(10-4-2-1-3-5-10)21-14(19)17-12-8-9-12/h1-5,11-12H,6-9H2,(H,16,18)(H,17,19)
InChIKeyWGEOKKDZZYPOIO-UHFFFAOYSA-N
XLogP1.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate?
The IUPAC name of [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate (CID 66579195) is [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate.
What is the SMILES notation for [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate?
The canonical SMILES for [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate is O=C(NC1CC1)OB(OC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate?
The InChIKey is WGEOKKDZZYPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BN2O4/c18-13(16-11-6-7-11)20-15(10-4-2-1-3-5-10)21-14(19)17-12-8-9-12/h1-5,11-12H,6-9H2,(H,16,18)(H,17,19).
What are the key properties of [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate?
[cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate has a molecular weight of 288.11 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropylcarbamoyloxy(phenyl)boranyl] N-cyclopropylcarbamate is sourced from PubChem (CID 66579195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).