N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide

C10H18N2O — CID 14988973

IUPACN-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide
SMILESCC(=O)NC[C@]12CCC[C@@H]1CNC2
InChIInChI=1S/C10H18N2O/c1-8(13)12-7-10-4-2-3-9(10)5-11-6-10/h9,11H,2-7H2,1H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyPUHKDPOQFLTJGR-NXEZZACHSA-N
MW182.27 g/mol
LogP0.51
Rot. Bonds2

About N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide

N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide (PubChem CID 14988973) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide
PubChem CID14988973
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide
SMILESCC(=O)NC[C@]12CCC[C@@H]1CNC2
InChIInChI=1S/C10H18N2O/c1-8(13)12-7-10-4-2-3-9(10)5-11-6-10/h9,11H,2-7H2,1H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyPUHKDPOQFLTJGR-NXEZZACHSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide?
The IUPAC name of N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide (CID 14988973) is N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide?
The canonical SMILES for N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide is CC(=O)NC[C@]12CCC[C@@H]1CNC2.
What is the InChIKey of N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide?
The InChIKey is PUHKDPOQFLTJGR-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(13)12-7-10-4-2-3-9(10)5-11-6-10/h9,11H,2-7H2,1H3,(H,12,13)/t9-,10-/m1/s1.
What are the key properties of N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide?
N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide has a molecular weight of 182.27 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide is sourced from PubChem (CID 14988973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).