[1-(4-cyanophenyl)cyclobutyl] carbamate

C12H12N2O2 — CID 69216618

IUPAC[1-(4-cyanophenyl)cyclobutyl] carbamate
SMILESN#Cc1ccc(C2(OC(N)=O)CCC2)cc1
InChIInChI=1S/C12H12N2O2/c13-8-9-2-4-10(5-3-9)12(6-1-7-12)16-11(14)15/h2-5H,1,6-7H2,(H2,14,15)
InChIKeySQEYDFXIZNBTDV-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.03
Rot. Bonds2

About [1-(4-cyanophenyl)cyclobutyl] carbamate

[1-(4-cyanophenyl)cyclobutyl] carbamate (PubChem CID 69216618) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is [1-(4-cyanophenyl)cyclobutyl] carbamate.

Molecular Properties

Compound Name[1-(4-cyanophenyl)cyclobutyl] carbamate
PubChem CID69216618
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name[1-(4-cyanophenyl)cyclobutyl] carbamate
SMILESN#Cc1ccc(C2(OC(N)=O)CCC2)cc1
InChIInChI=1S/C12H12N2O2/c13-8-9-2-4-10(5-3-9)12(6-1-7-12)16-11(14)15/h2-5H,1,6-7H2,(H2,14,15)
InChIKeySQEYDFXIZNBTDV-UHFFFAOYSA-N
XLogP2.03
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-cyanophenyl)cyclobutyl] carbamate?
The IUPAC name of [1-(4-cyanophenyl)cyclobutyl] carbamate (CID 69216618) is [1-(4-cyanophenyl)cyclobutyl] carbamate.
What is the SMILES notation for [1-(4-cyanophenyl)cyclobutyl] carbamate?
The canonical SMILES for [1-(4-cyanophenyl)cyclobutyl] carbamate is N#Cc1ccc(C2(OC(N)=O)CCC2)cc1.
What is the InChIKey of [1-(4-cyanophenyl)cyclobutyl] carbamate?
The InChIKey is SQEYDFXIZNBTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-8-9-2-4-10(5-3-9)12(6-1-7-12)16-11(14)15/h2-5H,1,6-7H2,(H2,14,15).
What are the key properties of [1-(4-cyanophenyl)cyclobutyl] carbamate?
[1-(4-cyanophenyl)cyclobutyl] carbamate has a molecular weight of 216.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyanophenyl)cyclobutyl] carbamate is sourced from PubChem (CID 69216618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).