N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide

C20H27FN2O — CID 59433021

IUPACN-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(C3CCCCC3)C2)c2ccc(F)cc21
InChIInChI=1S/C20H27FN2O/c1-14(24)22-19-12-20(18-8-7-15(21)11-17(18)19)9-10-23(13-20)16-5-3-2-4-6-16/h7-8,11,16,19H,2-6,9-10,12-13H2,1H3,(H,22,24)/t19-,20?/m0/s1
InChIKeySDPDHTQNSHEODS-XJDOXCRVSA-N
MW330.45 g/mol
LogP3.68
Rot. Bonds2

About N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide

N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 59433021) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID59433021
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC NameN-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(C3CCCCC3)C2)c2ccc(F)cc21
InChIInChI=1S/C20H27FN2O/c1-14(24)22-19-12-20(18-8-7-15(21)11-17(18)19)9-10-23(13-20)16-5-3-2-4-6-16/h7-8,11,16,19H,2-6,9-10,12-13H2,1H3,(H,22,24)/t19-,20?/m0/s1
InChIKeySDPDHTQNSHEODS-XJDOXCRVSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide (CID 59433021) is N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide is CC(=O)N[C@H]1CC2(CCN(C3CCCCC3)C2)c2ccc(F)cc21.
What is the InChIKey of N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is SDPDHTQNSHEODS-XJDOXCRVSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-14(24)22-19-12-20(18-8-7-15(21)11-17(18)19)9-10-23(13-20)16-5-3-2-4-6-16/h7-8,11,16,19H,2-6,9-10,12-13H2,1H3,(H,22,24)/t19-,20?/m0/s1.
What are the key properties of N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide?
N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-cyclohexyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 59433021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).