N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide

C11H19NO — CID 99908294

IUPACN-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C11H19NO/c1-8(13)12-11-7-6-9-4-2-3-5-10(9)11/h9-11H,2-7H2,1H3,(H,12,13)/t9-,10+,11-/m1/s1
InChIKeyAVPRHQNASXBOPN-OUAUKWLOSA-N
MW181.28 g/mol
LogP2.09
Rot. Bonds1

About N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide

N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide (PubChem CID 99908294) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide
PubChem CID99908294
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C11H19NO/c1-8(13)12-11-7-6-9-4-2-3-5-10(9)11/h9-11H,2-7H2,1H3,(H,12,13)/t9-,10+,11-/m1/s1
InChIKeyAVPRHQNASXBOPN-OUAUKWLOSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide with MolForge

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Related Compounds

N-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]acetamide
CID 130909390
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide
CID 15015135
N-(4-cyclooctylcycloheptyl)acetamide
CID 170008813
N-(8-bicyclo[5.1.0]octanyl)acetamide
CID 130011496
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide
CID 6558760
N-[(1R,2S)-2-piperidin-4-ylcyclopropyl]acetamide
CID 131008531
1-[(1S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethanone
CID 177221987
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide (CID 99908294) is N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide is CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]21.
What is the InChIKey of N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide?
The InChIKey is AVPRHQNASXBOPN-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(13)12-11-7-6-9-4-2-3-5-10(9)11/h9-11H,2-7H2,1H3,(H,12,13)/t9-,10+,11-/m1/s1.
What are the key properties of N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide?
N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 99908294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).