(1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane

C12H15ClN2 — CID 90215272

IUPAC(1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane
SMILESClc1ccc(N2C[C@H]3NCCCC32)cc1
InChIInChI=1S/C12H15ClN2/c13-9-3-5-10(6-4-9)15-8-11-12(15)2-1-7-14-11/h3-6,11-12,14H,1-2,7-8H2/t11-,12?/m1/s1
InChIKeyJYACONWIPQCEFT-JHJMLUEUSA-N
MW222.72 g/mol
LogP2.28
Rot. Bonds1

About (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane

(1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane (PubChem CID 90215272) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane
PubChem CID90215272
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane
SMILESClc1ccc(N2C[C@H]3NCCCC32)cc1
InChIInChI=1S/C12H15ClN2/c13-9-3-5-10(6-4-9)15-8-11-12(15)2-1-7-14-11/h3-6,11-12,14H,1-2,7-8H2/t11-,12?/m1/s1
InChIKeyJYACONWIPQCEFT-JHJMLUEUSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane?
The IUPAC name of (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane (CID 90215272) is (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane.
What is the SMILES notation for (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane?
The canonical SMILES for (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane is Clc1ccc(N2C[C@H]3NCCCC32)cc1.
What is the InChIKey of (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane?
The InChIKey is JYACONWIPQCEFT-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-9-3-5-10(6-4-9)15-8-11-12(15)2-1-7-14-11/h3-6,11-12,14H,1-2,7-8H2/t11-,12?/m1/s1.
What are the key properties of (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane?
(1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane has a molecular weight of 222.72 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-(4-chlorophenyl)-2,7-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 90215272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).