2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide

C9H14N2O2 — CID 14182975

IUPAC2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C[C@H]2CCC[C@H]21
InChIInChI=1S/C9H14N2O2/c10-8(12)5-11-7-3-1-2-6(7)4-9(11)13/h6-7H,1-5H2,(H2,10,12)/t6-,7-/m1/s1
InChIKeyHEBXRFCOOWTXMH-RNFRBKRXSA-N
MW182.22 g/mol
LogP-0.13
Rot. Bonds2

About 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide

2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide (PubChem CID 14182975) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide
PubChem CID14182975
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C[C@H]2CCC[C@H]21
InChIInChI=1S/C9H14N2O2/c10-8(12)5-11-7-3-1-2-6(7)4-9(11)13/h6-7H,1-5H2,(H2,10,12)/t6-,7-/m1/s1
InChIKeyHEBXRFCOOWTXMH-RNFRBKRXSA-N
XLogP-0.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide?
The IUPAC name of 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide (CID 14182975) is 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide.
What is the SMILES notation for 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide?
The canonical SMILES for 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide is NC(=O)CN1C(=O)C[C@H]2CCC[C@H]21.
What is the InChIKey of 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide?
The InChIKey is HEBXRFCOOWTXMH-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-8(12)5-11-7-3-1-2-6(7)4-9(11)13/h6-7H,1-5H2,(H2,10,12)/t6-,7-/m1/s1.
What are the key properties of 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide?
2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide has a molecular weight of 182.22 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide is sourced from PubChem (CID 14182975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).