1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one

C10H15NO2 — CID 71434771

IUPAC1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one
SMILESCC(=O)N1C(C)CC2CCC(=O)C21
InChIInChI=1S/C10H15NO2/c1-6-5-8-3-4-9(13)10(8)11(6)7(2)12/h6,8,10H,3-5H2,1-2H3
InChIKeyTXAPPFYIIFJQID-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.97
Rot. Bonds

About 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one

1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one (PubChem CID 71434771) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one.

Molecular Properties

Compound Name1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one
PubChem CID71434771
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one
SMILESCC(=O)N1C(C)CC2CCC(=O)C21
InChIInChI=1S/C10H15NO2/c1-6-5-8-3-4-9(13)10(8)11(6)7(2)12/h6,8,10H,3-5H2,1-2H3
InChIKeyTXAPPFYIIFJQID-UHFFFAOYSA-N
XLogP0.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one?
The IUPAC name of 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one (CID 71434771) is 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one.
What is the SMILES notation for 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one?
The canonical SMILES for 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one is CC(=O)N1C(C)CC2CCC(=O)C21.
What is the InChIKey of 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one?
The InChIKey is TXAPPFYIIFJQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-5-8-3-4-9(13)10(8)11(6)7(2)12/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one?
1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one has a molecular weight of 181.23 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one is sourced from PubChem (CID 71434771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).