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

C10H17NO — CID 71421005

IUPAC2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
SMILESCC1CN(C)CC2CC(O)C=C12
InChIInChI=1S/C10H17NO/c1-7-5-11(2)6-8-3-9(12)4-10(7)8/h4,7-9,12H,3,5-6H2,1-2H3
InChIKeyQORFIMGTJUTLFB-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.88
Rot. Bonds

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

2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol (PubChem CID 71421005) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol.

Molecular Properties

Compound Name2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
PubChem CID71421005
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
SMILESCC1CN(C)CC2CC(O)C=C12
InChIInChI=1S/C10H17NO/c1-7-5-11(2)6-8-3-9(12)4-10(7)8/h4,7-9,12H,3,5-6H2,1-2H3
InChIKeyQORFIMGTJUTLFB-UHFFFAOYSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.88
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-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
The IUPAC name of 2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol (CID 71421005) is 2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol.
What is the SMILES notation for 2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
The canonical SMILES for 2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol is CC1CN(C)CC2CC(O)C=C12.
What is the InChIKey of 2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
The InChIKey is QORFIMGTJUTLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-5-11(2)6-8-3-9(12)4-10(7)8/h4,7-9,12H,3,5-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol?
2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol has a molecular weight of 167.25 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol is sourced from PubChem (CID 71421005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).