(6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene

C19H17Cl2N — CID 10019504

IUPAC(6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene
SMILESClc1ccc(C2=CCN3CC2[C@H](c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C19H17Cl2N/c20-15-5-1-13(2-6-15)17-9-10-22-11-18(19(17)12-22)14-3-7-16(21)8-4-14/h1-9,18-19H,10-12H2/t18-,19?/m0/s1
InChIKeyNXBREODEOPAFAK-OYKVQYDMSA-N
MW330.26 g/mol
LogP5.11
Rot. Bonds2

About (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene

(6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene (PubChem CID 10019504) has the molecular formula C19H17Cl2N and a molecular weight of 330.26 g/mol. Its IUPAC name is (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene.

Molecular Properties

Compound Name(6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene
PubChem CID10019504
Molecular FormulaC19H17Cl2N
Molecular Weight330.26 g/mol
Exact Mass329.07
IUPAC Name(6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene
SMILESClc1ccc(C2=CCN3CC2[C@H](c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C19H17Cl2N/c20-15-5-1-13(2-6-15)17-9-10-22-11-18(19(17)12-22)14-3-7-16(21)8-4-14/h1-9,18-19H,10-12H2/t18-,19?/m0/s1
InChIKeyNXBREODEOPAFAK-OYKVQYDMSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.26
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene?
The IUPAC name of (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene (CID 10019504) is (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene.
What is the SMILES notation for (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene?
The canonical SMILES for (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene is Clc1ccc(C2=CCN3CC2[C@H](c2ccc(Cl)cc2)C3)cc1.
What is the InChIKey of (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene?
The InChIKey is NXBREODEOPAFAK-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H17Cl2N/c20-15-5-1-13(2-6-15)17-9-10-22-11-18(19(17)12-22)14-3-7-16(21)8-4-14/h1-9,18-19H,10-12H2/t18-,19?/m0/s1.
What are the key properties of (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene?
(6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene has a molecular weight of 330.26 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4,6-bis(4-chlorophenyl)-1-azabicyclo[3.2.1]oct-3-ene is sourced from PubChem (CID 10019504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).