N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide

C9H16N2O — CID 15015135

IUPACN-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@H]2CNC[C@@H]21
InChIInChI=1S/C9H16N2O/c1-6(12)11-9-3-2-7-4-10-5-8(7)9/h7-10H,2-5H2,1H3,(H,11,12)/t7-,8-,9-/m0/s1
InChIKeyYAYWAEXAPGFIKA-CIUDSAMLSA-N
MW168.24 g/mol
LogP0.12
Rot. Bonds1

About N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide

N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide (PubChem CID 15015135) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide
PubChem CID15015135
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@H]2CNC[C@@H]21
InChIInChI=1S/C9H16N2O/c1-6(12)11-9-3-2-7-4-10-5-8(7)9/h7-10H,2-5H2,1H3,(H,11,12)/t7-,8-,9-/m0/s1
InChIKeyYAYWAEXAPGFIKA-CIUDSAMLSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide?
The IUPAC name of N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide (CID 15015135) is N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide.
What is the SMILES notation for N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide?
The canonical SMILES for N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide is CC(=O)N[C@H]1CC[C@H]2CNC[C@@H]21.
What is the InChIKey of N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide?
The InChIKey is YAYWAEXAPGFIKA-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(12)11-9-3-2-7-4-10-5-8(7)9/h7-10H,2-5H2,1H3,(H,11,12)/t7-,8-,9-/m0/s1.
What are the key properties of N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide?
N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,4S,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]acetamide is sourced from PubChem (CID 15015135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).