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

C21H29FN2O — CID 59433651

IUPACN-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(C3CCCCCC3)C2)c2ccc(F)cc21
InChIInChI=1S/C21H29FN2O/c1-15(25)23-20-13-21(19-9-8-16(22)12-18(19)20)10-11-24(14-21)17-6-4-2-3-5-7-17/h8-9,12,17,20H,2-7,10-11,13-14H2,1H3,(H,23,25)/t20-,21?/m0/s1
InChIKeyBNRBLVMSPXQIJY-BGERDNNASA-N
MW344.47 g/mol
LogP4.07
Rot. Bonds2

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

N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 59433651) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID59433651
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC NameN-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(C3CCCCCC3)C2)c2ccc(F)cc21
InChIInChI=1S/C21H29FN2O/c1-15(25)23-20-13-21(19-9-8-16(22)12-18(19)20)10-11-24(14-21)17-6-4-2-3-5-7-17/h8-9,12,17,20H,2-7,10-11,13-14H2,1H3,(H,23,25)/t20-,21?/m0/s1
InChIKeyBNRBLVMSPXQIJY-BGERDNNASA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide (CID 59433651) is N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide is CC(=O)N[C@H]1CC2(CCN(C3CCCCCC3)C2)c2ccc(F)cc21.
What is the InChIKey of N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is BNRBLVMSPXQIJY-BGERDNNASA-N. The full InChI is InChI=1S/C21H29FN2O/c1-15(25)23-20-13-21(19-9-8-16(22)12-18(19)20)10-11-24(14-21)17-6-4-2-3-5-7-17/h8-9,12,17,20H,2-7,10-11,13-14H2,1H3,(H,23,25)/t20-,21?/m0/s1.
What are the key properties of N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide?
N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 344.47 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-cycloheptyl-6-fluorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 59433651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).