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

C8H15NO — CID 105428257

IUPAC(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESCC1(O)C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C8H15NO/c1-8(10)2-6-4-9-5-7(6)3-8/h6-7,9-10H,2-5H2,1H3/t6-,7+,8?
InChIKeyISQVJHQHQBFQRB-DHBOJHSNSA-N
MW141.21 g/mol
LogP0.37
Rot. Bonds

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

(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 105428257) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID105428257
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESCC1(O)C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C8H15NO/c1-8(10)2-6-4-9-5-7(6)3-8/h6-7,9-10H,2-5H2,1H3/t6-,7+,8?
InChIKeyISQVJHQHQBFQRB-DHBOJHSNSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 105428257) is (3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is CC1(O)C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is ISQVJHQHQBFQRB-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(10)2-6-4-9-5-7(6)3-8/h6-7,9-10H,2-5H2,1H3/t6-,7+,8?.
What are the key properties of (3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
(3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 141.21 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 105428257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).