2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol

C11H19NO — CID 71420990

IUPAC2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
SMILESCC1CN(C)CC2C1=CC(O)C2C
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
InChIKeyPMOIEWXMDSFOBY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.12
Rot. Bonds

About 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol

2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol (PubChem CID 71420990) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol.

Molecular Properties

Compound Name2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
PubChem CID71420990
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
SMILESCC1CN(C)CC2C1=CC(O)C2C
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
InChIKeyPMOIEWXMDSFOBY-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
The IUPAC name of 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol (CID 71420990) is 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol.
What is the SMILES notation for 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
The canonical SMILES for 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol is CC1CN(C)CC2C1=CC(O)C2C.
What is the InChIKey of 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
The InChIKey is PMOIEWXMDSFOBY-UHFFFAOYSA-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.
What are the key properties of 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
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 2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol is sourced from PubChem (CID 71420990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).