2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol

C8H15NO — CID 3056674

IUPAC2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
SMILESCC1CC2CCC(O)C2N1
InChIInChI=1S/C8H15NO/c1-5-4-6-2-3-7(10)8(6)9-5/h5-10H,2-4H2,1H3
InChIKeyVRPSWZFSCOVZGF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.51
Rot. Bonds

About 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol

2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol (PubChem CID 3056674) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol.

Molecular Properties

Compound Name2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
PubChem CID3056674
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
SMILESCC1CC2CCC(O)C2N1
InChIInChI=1S/C8H15NO/c1-5-4-6-2-3-7(10)8(6)9-5/h5-10H,2-4H2,1H3
InChIKeyVRPSWZFSCOVZGF-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The IUPAC name of 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol (CID 3056674) is 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol.
What is the SMILES notation for 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The canonical SMILES for 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol is CC1CC2CCC(O)C2N1.
What is the InChIKey of 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The InChIKey is VRPSWZFSCOVZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-4-6-2-3-7(10)8(6)9-5/h5-10H,2-4H2,1H3.
What are the key properties of 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol has a molecular weight of 141.21 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol is sourced from PubChem (CID 3056674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).