(5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol

C17H19NO — CID 101487843

IUPAC(5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol
SMILESCC[C@]1(O)C[C@](C)(c2ccccc2)c2ccncc21
InChIInChI=1S/C17H19NO/c1-3-17(19)12-16(2,13-7-5-4-6-8-13)14-9-10-18-11-15(14)17/h4-11,19H,3,12H2,1-2H3/t16-,17+/m1/s1
InChIKeyDUIOQWSYMGXHBX-SJORKVTESA-N
MW253.35 g/mol
LogP3.39
Rot. Bonds2

About (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol

(5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol (PubChem CID 101487843) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol.

Molecular Properties

Compound Name(5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol
PubChem CID101487843
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol
SMILESCC[C@]1(O)C[C@](C)(c2ccccc2)c2ccncc21
InChIInChI=1S/C17H19NO/c1-3-17(19)12-16(2,13-7-5-4-6-8-13)14-9-10-18-11-15(14)17/h4-11,19H,3,12H2,1-2H3/t16-,17+/m1/s1
InChIKeyDUIOQWSYMGXHBX-SJORKVTESA-N
XLogP3.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol?
The IUPAC name of (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol (CID 101487843) is (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol.
What is the SMILES notation for (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol?
The canonical SMILES for (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol is CC[C@]1(O)C[C@](C)(c2ccccc2)c2ccncc21.
What is the InChIKey of (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol?
The InChIKey is DUIOQWSYMGXHBX-SJORKVTESA-N. The full InChI is InChI=1S/C17H19NO/c1-3-17(19)12-16(2,13-7-5-4-6-8-13)14-9-10-18-11-15(14)17/h4-11,19H,3,12H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol?
(5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol has a molecular weight of 253.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol is sourced from PubChem (CID 101487843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).