(2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile

C25H18ClN3 — CID 102476307

IUPAC(2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile
SMILESCN1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)CC12c1ccccc1-c1ccccc12
InChIInChI=1S/C25H18ClN3/c1-29-23(17-10-12-18(26)13-11-17)24(15-27,16-28)14-25(29)21-8-4-2-6-19(21)20-7-3-5-9-22(20)25/h2-13,23H,14H2,1H3/t23-/m1/s1
InChIKeyTVCDCTDQJLKSBY-HSZRJFAPSA-N
MW395.89 g/mol
LogP5.67
Rot. Bonds1

About (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile

(2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile (PubChem CID 102476307) has the molecular formula C25H18ClN3 and a molecular weight of 395.89 g/mol. Its IUPAC name is (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile.

Molecular Properties

Compound Name(2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile
PubChem CID102476307
Molecular FormulaC25H18ClN3
Molecular Weight395.89 g/mol
Exact Mass395.12
IUPAC Name(2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile
SMILESCN1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)CC12c1ccccc1-c1ccccc12
InChIInChI=1S/C25H18ClN3/c1-29-23(17-10-12-18(26)13-11-17)24(15-27,16-28)14-25(29)21-8-4-2-6-19(21)20-7-3-5-9-22(20)25/h2-13,23H,14H2,1H3/t23-/m1/s1
InChIKeyTVCDCTDQJLKSBY-HSZRJFAPSA-N
XLogP5.67
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile?
The IUPAC name of (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile (CID 102476307) is (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile.
What is the SMILES notation for (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile?
The canonical SMILES for (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile is CN1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)CC12c1ccccc1-c1ccccc12.
What is the InChIKey of (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile?
The InChIKey is TVCDCTDQJLKSBY-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H18ClN3/c1-29-23(17-10-12-18(26)13-11-17)24(15-27,16-28)14-25(29)21-8-4-2-6-19(21)20-7-3-5-9-22(20)25/h2-13,23H,14H2,1H3/t23-/m1/s1.
What are the key properties of (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile?
(2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile has a molecular weight of 395.89 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-2'-(4-chlorophenyl)-1'-methylspiro[fluorene-9,5'-pyrrolidine]-3',3'-dicarbonitrile is sourced from PubChem (CID 102476307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).