[(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol

C10H19NO — CID 170564055

IUPAC[(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol
SMILESCN1CCC[C@]2(CO)CCC[C@H]12
InChIInChI=1S/C10H19NO/c1-11-7-3-6-10(8-12)5-2-4-9(10)11/h9,12H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyGMYWZVQBYDFAOQ-UWVGGRQHSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds1

About [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol

[(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol (PubChem CID 170564055) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol.

Molecular Properties

Compound Name[(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol
PubChem CID170564055
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol
SMILESCN1CCC[C@]2(CO)CCC[C@H]12
InChIInChI=1S/C10H19NO/c1-11-7-3-6-10(8-12)5-2-4-9(10)11/h9,12H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyGMYWZVQBYDFAOQ-UWVGGRQHSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol?
The IUPAC name of [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol (CID 170564055) is [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol.
What is the SMILES notation for [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol?
The canonical SMILES for [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol is CN1CCC[C@]2(CO)CCC[C@H]12.
What is the InChIKey of [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol?
The InChIKey is GMYWZVQBYDFAOQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-7-3-6-10(8-12)5-2-4-9(10)11/h9,12H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol?
[(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methanol is sourced from PubChem (CID 170564055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).