2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol

C7H13NO — CID 83669929

IUPAC2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
SMILESOC12CCCC1NCC2
InChIInChI=1S/C7H13NO/c9-7-3-1-2-6(7)8-5-4-7/h6,8-9H,1-5H2
InChIKeyDIUYNHJWCHYCEP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.26
Rot. Bonds

About 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol

2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol (PubChem CID 83669929) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol.

Molecular Properties

Compound Name2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
PubChem CID83669929
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
SMILESOC12CCCC1NCC2
InChIInChI=1S/C7H13NO/c9-7-3-1-2-6(7)8-5-4-7/h6,8-9H,1-5H2
InChIKeyDIUYNHJWCHYCEP-UHFFFAOYSA-N
XLogP0.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol?
The IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol (CID 83669929) is 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol.
What is the SMILES notation for 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol?
The canonical SMILES for 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol is OC12CCCC1NCC2.
What is the InChIKey of 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol?
The InChIKey is DIUYNHJWCHYCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-3-1-2-6(7)8-5-4-7/h6,8-9H,1-5H2.
What are the key properties of 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol?
2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol has a molecular weight of 127.19 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol is sourced from PubChem (CID 83669929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).