6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C19H27NO — CID 65320050

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1N1CCCC2CCCC21
InChIInChI=1S/C19H27NO/c21-19-16-10-2-1-6-14(16)7-3-12-18(19)20-13-5-9-15-8-4-11-17(15)20/h1-2,6,10,15,17-19,21H,3-5,7-9,11-13H2
InChIKeyZLOCCFAPJLZACT-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.69
Rot. Bonds1

About 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 65320050) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID65320050
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1N1CCCC2CCCC21
InChIInChI=1S/C19H27NO/c21-19-16-10-2-1-6-14(16)7-3-12-18(19)20-13-5-9-15-8-4-11-17(15)20/h1-2,6,10,15,17-19,21H,3-5,7-9,11-13H2
InChIKeyZLOCCFAPJLZACT-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol with MolForge

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420107
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678082
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
(5S,6R)-6-(4-methylimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 166438614
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclooctan-1-ol
CID 65319710
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 102726652
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 134279503
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82958621
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine
CID 102725956
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11931274

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 65320050) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is OC1c2ccccc2CCCC1N1CCCC2CCCC21.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is ZLOCCFAPJLZACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c21-19-16-10-2-1-6-14(16)7-3-12-18(19)20-13-5-9-15-8-4-11-17(15)20/h1-2,6,10,15,17-19,21H,3-5,7-9,11-13H2.
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 285.43 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 65320050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).