[1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate

C15H18N2O2 — CID 178179804

IUPAC[1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N2O2/c1-14(2,3)17-13(18)19-15(8-9-15)12-6-4-11(10-16)5-7-12/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyHUCPVSCBBYJEQR-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds2

About [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate

[1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate (PubChem CID 178179804) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate
PubChem CID178179804
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N2O2/c1-14(2,3)17-13(18)19-15(8-9-15)12-6-4-11(10-16)5-7-12/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyHUCPVSCBBYJEQR-UHFFFAOYSA-N
XLogP3.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate?
The IUPAC name of [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate (CID 178179804) is [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate?
The canonical SMILES for [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1(c2ccc(C#N)cc2)CC1.
What is the InChIKey of [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate?
The InChIKey is HUCPVSCBBYJEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-14(2,3)17-13(18)19-15(8-9-15)12-6-4-11(10-16)5-7-12/h4-7H,8-9H2,1-3H3,(H,17,18).
What are the key properties of [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate?
[1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate has a molecular weight of 258.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyanophenyl)cyclopropyl] N-tert-butylcarbamate is sourced from PubChem (CID 178179804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).