1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone

C10H18N2O2 — CID 121204329

IUPAC1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone
SMILESNCC(=O)N1CC2CCCC2(CO)C1
InChIInChI=1S/C10H18N2O2/c11-4-9(14)12-5-8-2-1-3-10(8,6-12)7-13/h8,13H,1-7,11H2
InChIKeyRFFVMCZXCVBLBH-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.43
Rot. Bonds2

About 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone

1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone (PubChem CID 121204329) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone.

Molecular Properties

Compound Name1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone
PubChem CID121204329
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone
SMILESNCC(=O)N1CC2CCCC2(CO)C1
InChIInChI=1S/C10H18N2O2/c11-4-9(14)12-5-8-2-1-3-10(8,6-12)7-13/h8,13H,1-7,11H2
InChIKeyRFFVMCZXCVBLBH-UHFFFAOYSA-N
XLogP-0.43
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone?
The IUPAC name of 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone (CID 121204329) is 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone.
What is the SMILES notation for 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone?
The canonical SMILES for 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone is NCC(=O)N1CC2CCCC2(CO)C1.
What is the InChIKey of 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone?
The InChIKey is RFFVMCZXCVBLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-4-9(14)12-5-8-2-1-3-10(8,6-12)7-13/h8,13H,1-7,11H2.
What are the key properties of 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone?
1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone has a molecular weight of 198.27 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-aminoethanone is sourced from PubChem (CID 121204329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).