(4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol

C11H19NO — CID 162985984

IUPAC(4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
SMILESC[C@H]1[C@@H]2CN(C)C[C@H](C)C2=C[C@@H]1O
InChIInChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h4,7-8,10-11,13H,5-6H2,1-3H3/t7-,8-,10-,11-/m0/s1
InChIKeyPMOIEWXMDSFOBY-UUTMEEIUSA-N
MW181.28 g/mol
LogP1.12
Rot. Bonds

About (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol

(4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol (PubChem CID 162985984) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol.

Molecular Properties

Compound Name(4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
PubChem CID162985984
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
SMILESC[C@H]1[C@@H]2CN(C)C[C@H](C)C2=C[C@@H]1O
InChIInChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h4,7-8,10-11,13H,5-6H2,1-3H3/t7-,8-,10-,11-/m0/s1
InChIKeyPMOIEWXMDSFOBY-UUTMEEIUSA-N
XLogP1.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol with MolForge

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Related Compounds

2-(1-Hydroxy-1-propyl)-(6-methyl-6-azabicyclo[3.2.2]non-2-ene)
CID 67020382
4-[2-[Ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol
CID 90916937
(4-Methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol
CID 163485702
2,4,7-Trimethyl-2,3,4,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-ol
CID 71420990
2,4-Dimethyl-2,3,4,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-ol
CID 71421005
(4S,6S,7R,7aR)-2,4,7-trimethyl-2-oxido-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-2-ium-6-ol
CID 101505039
1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol
CID 131020372

Frequently Asked Questions

What is the IUPAC name of (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
The IUPAC name of (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol (CID 162985984) is (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol.
What is the SMILES notation for (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
The canonical SMILES for (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol is C[C@H]1[C@@H]2CN(C)C[C@H](C)C2=C[C@@H]1O.
What is the InChIKey of (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
The InChIKey is PMOIEWXMDSFOBY-UUTMEEIUSA-N. The full InChI is InChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h4,7-8,10-11,13H,5-6H2,1-3H3/t7-,8-,10-,11-/m0/s1.
What are the key properties of (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
(4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol has a molecular weight of 181.28 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol is sourced from PubChem (CID 162985984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).