1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol

C16H23NO — CID 79746150

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)C1CCc2cccnc21
InChIInChI=1S/C16H23NO/c1-2-13-7-3-4-10-16(13,18)14-9-8-12-6-5-11-17-15(12)14/h5-6,11,13-14,18H,2-4,7-10H2,1H3
InChIKeyYUNQJJPUKZVCIK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.44
Rot. Bonds2

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol (PubChem CID 79746150) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol
PubChem CID79746150
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)C1CCc2cccnc21
InChIInChI=1S/C16H23NO/c1-2-13-7-3-4-10-16(13,18)14-9-8-12-6-5-11-17-15(12)14/h5-6,11,13-14,18H,2-4,7-10H2,1H3
InChIKeyYUNQJJPUKZVCIK-UHFFFAOYSA-N
XLogP3.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol (CID 79746150) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol is CCC1CCCCC1(O)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol?
The InChIKey is YUNQJJPUKZVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-13-7-3-4-10-16(13,18)14-9-8-12-6-5-11-17-15(12)14/h5-6,11,13-14,18H,2-4,7-10H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylcyclohexan-1-ol is sourced from PubChem (CID 79746150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).