2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide

C12H20N2O2 — CID 14182987

IUPAC2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide
SMILESNC(=O)CN1C(=O)CC2CCCCCCC21
InChIInChI=1S/C12H20N2O2/c13-11(15)8-14-10-6-4-2-1-3-5-9(10)7-12(14)16/h9-10H,1-8H2,(H2,13,15)
InChIKeyLNTROHHGOVIPPX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.04
Rot. Bonds2

About 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide

2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide (PubChem CID 14182987) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide
PubChem CID14182987
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide
SMILESNC(=O)CN1C(=O)CC2CCCCCCC21
InChIInChI=1S/C12H20N2O2/c13-11(15)8-14-10-6-4-2-1-3-5-9(10)7-12(14)16/h9-10H,1-8H2,(H2,13,15)
InChIKeyLNTROHHGOVIPPX-UHFFFAOYSA-N
XLogP1.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide?
The IUPAC name of 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide (CID 14182987) is 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide?
The canonical SMILES for 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide is NC(=O)CN1C(=O)CC2CCCCCCC21.
What is the InChIKey of 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide?
The InChIKey is LNTROHHGOVIPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-11(15)8-14-10-6-4-2-1-3-5-9(10)7-12(14)16/h9-10H,1-8H2,(H2,13,15).
What are the key properties of 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide?
2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide has a molecular weight of 224.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide is sourced from PubChem (CID 14182987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).