(3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol

C8H15NO — CID 170098111

IUPAC(3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
SMILESC[C@]1(O)CC[C@H]2CCN[C@H]21
InChIInChI=1S/C8H15NO/c1-8(10)4-2-6-3-5-9-7(6)8/h6-7,9-10H,2-5H2,1H3/t6-,7+,8-/m0/s1
InChIKeyLRQVGNNZPKMAPM-RNJXMRFFSA-N
MW141.21 g/mol
LogP0.51
Rot. Bonds

About (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol

(3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol (PubChem CID 170098111) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol.

Molecular Properties

Compound Name(3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
PubChem CID170098111
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
SMILESC[C@]1(O)CC[C@H]2CCN[C@H]21
InChIInChI=1S/C8H15NO/c1-8(10)4-2-6-3-5-9-7(6)8/h6-7,9-10H,2-5H2,1H3/t6-,7+,8-/m0/s1
InChIKeyLRQVGNNZPKMAPM-RNJXMRFFSA-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 (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol?
The IUPAC name of (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol (CID 170098111) is (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol.
What is the SMILES notation for (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol?
The canonical SMILES for (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol is C[C@]1(O)CC[C@H]2CCN[C@H]21.
What is the InChIKey of (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol?
The InChIKey is LRQVGNNZPKMAPM-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(10)4-2-6-3-5-9-7(6)8/h6-7,9-10H,2-5H2,1H3/t6-,7+,8-/m0/s1.
What are the key properties of (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol?
(3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[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 (3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol is sourced from PubChem (CID 170098111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).