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

C11H19NO — CID 131102398

IUPACN-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1
InChIInChI=1S/C11H19NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h9-11H,2-7H2,1H3,(H,12,13)/t9-,10-,11-/m1/s1
InChIKeyANSNZWHVXCIGJU-GMTAPVOTSA-N
MW181.28 g/mol
LogP2.09
Rot. Bonds1

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

N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide (PubChem CID 131102398) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
PubChem CID131102398
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1
InChIInChI=1S/C11H19NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h9-11H,2-7H2,1H3,(H,12,13)/t9-,10-,11-/m1/s1
InChIKeyANSNZWHVXCIGJU-GMTAPVOTSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide (CID 131102398) is N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide is CC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1.
What is the InChIKey of N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide?
The InChIKey is ANSNZWHVXCIGJU-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h9-11H,2-7H2,1H3,(H,12,13)/t9-,10-,11-/m1/s1.
What are the key properties of N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide?
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-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-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 131102398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).