1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone

C20H28N2O — CID 134790725

IUPAC1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCN(C3CCCCC3)C2)Cc2ccccc21
InChIInChI=1S/C20H28N2O/c1-16(23)22-15-20(13-17-7-5-6-10-19(17)22)11-12-21(14-20)18-8-3-2-4-9-18/h5-7,10,18H,2-4,8-9,11-15H2,1H3
InChIKeyIUIMIWNSRSBDJG-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.62
Rot. Bonds1

About 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone

1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone (PubChem CID 134790725) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone.

Molecular Properties

Compound Name1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone
PubChem CID134790725
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCN(C3CCCCC3)C2)Cc2ccccc21
InChIInChI=1S/C20H28N2O/c1-16(23)22-15-20(13-17-7-5-6-10-19(17)22)11-12-21(14-20)18-8-3-2-4-9-18/h5-7,10,18H,2-4,8-9,11-15H2,1H3
InChIKeyIUIMIWNSRSBDJG-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone?
The IUPAC name of 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone (CID 134790725) is 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone.
What is the SMILES notation for 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone?
The canonical SMILES for 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone is CC(=O)N1CC2(CCN(C3CCCCC3)C2)Cc2ccccc21.
What is the InChIKey of 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone?
The InChIKey is IUIMIWNSRSBDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-16(23)22-15-20(13-17-7-5-6-10-19(17)22)11-12-21(14-20)18-8-3-2-4-9-18/h5-7,10,18H,2-4,8-9,11-15H2,1H3.
What are the key properties of 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone?
1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone has a molecular weight of 312.46 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-cyclohexylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone is sourced from PubChem (CID 134790725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).