(1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile

C24H17N3O — CID 102494084

IUPAC(1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile
SMILESCN1C[C@H](c2ccccc2)C(C#N)(C#N)[C@]12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C24H17N3O/c1-27-13-20(16-7-3-2-4-8-16)23(14-25,15-26)24(27)19-12-6-10-17-9-5-11-18(21(17)19)22(24)28/h2-12,20H,13H2,1H3/t20-,24+/m1/s1
InChIKeyPGWJFAKICKHGPF-YKSBVNFPSA-N
MW363.42 g/mol
LogP3.99
Rot. Bonds1

About (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile

(1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile (PubChem CID 102494084) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile.

Molecular Properties

Compound Name(1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile
PubChem CID102494084
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name(1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile
SMILESCN1C[C@H](c2ccccc2)C(C#N)(C#N)[C@]12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C24H17N3O/c1-27-13-20(16-7-3-2-4-8-16)23(14-25,15-26)24(27)19-12-6-10-17-9-5-11-18(21(17)19)22(24)28/h2-12,20H,13H2,1H3/t20-,24+/m1/s1
InChIKeyPGWJFAKICKHGPF-YKSBVNFPSA-N
XLogP3.99
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11812335
CID 11812335
1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione
CID 139071231
CID 71561309
CID 71561309
CID 16742221
CID 16742221
CID 139216473
CID 139216473
CID 24823305
CID 24823305
CID 73346681
CID 73346681
CID 101429521
CID 101429521
CID 101429522
CID 101429522
CID 102319635
CID 102319635
CID 11729274
CID 11729274
CID 102309828
CID 102309828

Frequently Asked Questions

What is the IUPAC name of (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile?
The IUPAC name of (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile (CID 102494084) is (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile.
What is the SMILES notation for (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile?
The canonical SMILES for (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile is CN1C[C@H](c2ccccc2)C(C#N)(C#N)[C@]12C(=O)c1cccc3cccc2c13.
What is the InChIKey of (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile?
The InChIKey is PGWJFAKICKHGPF-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H17N3O/c1-27-13-20(16-7-3-2-4-8-16)23(14-25,15-26)24(27)19-12-6-10-17-9-5-11-18(21(17)19)22(24)28/h2-12,20H,13H2,1H3/t20-,24+/m1/s1.
What are the key properties of (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile?
(1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile has a molecular weight of 363.42 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile is sourced from PubChem (CID 102494084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).