N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide

C16H21NO — CID 158697736

IUPACN-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCCCC2)c2ccccc21
InChIInChI=1S/C16H21NO/c1-12(18)17-15-11-16(9-5-2-6-10-16)14-8-4-3-7-13(14)15/h3-4,7-8,15H,2,5-6,9-11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyDHNPZYZKUXRAGB-HNNXBMFYSA-N
MW243.35 g/mol
LogP3.47
Rot. Bonds1

About N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide

N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide (PubChem CID 158697736) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide
PubChem CID158697736
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCCCC2)c2ccccc21
InChIInChI=1S/C16H21NO/c1-12(18)17-15-11-16(9-5-2-6-10-16)14-8-4-3-7-13(14)15/h3-4,7-8,15H,2,5-6,9-11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyDHNPZYZKUXRAGB-HNNXBMFYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70957798
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433832
N-[(1R)-1'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433560
N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 71177426
N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 158496894
N-[(1S)-1'-(1,3-dimethylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59432992
N-[1'-[2-(4-methoxyphenyl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 134789216
molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 162094344
N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433199
N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433181
N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159368131

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide?
The IUPAC name of N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide (CID 158697736) is N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide is CC(=O)N[C@H]1CC2(CCCCC2)c2ccccc21.
What is the InChIKey of N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide?
The InChIKey is DHNPZYZKUXRAGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(18)17-15-11-16(9-5-2-6-10-16)14-8-4-3-7-13(14)15/h3-4,7-8,15H,2,5-6,9-11H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide?
N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide has a molecular weight of 243.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide is sourced from PubChem (CID 158697736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).