(4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one

C11H17NO2 — CID 163076668

IUPAC(4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one
SMILESC[C@@H]1C(=O)C=C2[C@H]1CN(C)C[C@@]2(C)O
InChIInChI=1S/C11H17NO2/c1-7-8-5-12(3)6-11(2,14)9(8)4-10(7)13/h4,7-8,14H,5-6H2,1-3H3/t7-,8-,11+/m0/s1
InChIKeyHSCGGKMCCLYDMN-DKCNOQQISA-N
MW195.26 g/mol
LogP0.44
Rot. Bonds

About (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one

(4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one (PubChem CID 163076668) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one.

Molecular Properties

Compound Name(4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one
PubChem CID163076668
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one
SMILESC[C@@H]1C(=O)C=C2[C@H]1CN(C)C[C@@]2(C)O
InChIInChI=1S/C11H17NO2/c1-7-8-5-12(3)6-11(2,14)9(8)4-10(7)13/h4,7-8,14H,5-6H2,1-3H3/t7-,8-,11+/m0/s1
InChIKeyHSCGGKMCCLYDMN-DKCNOQQISA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one with MolForge

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Related Compounds

(7S)-2,4,7-trimethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridin-6-one
CID 130719474
1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone
CID 130186895
(4S)-1,3,3,4-tetramethylpyrrolidine
CID 168820541
(3S,4R)-1,3,4-trimethylazetidin-2-one
CID 59947134
1-(1,4,4-trimethylpyrrolidin-3-yl)propan-2-one
CID 130028083
3-methyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
CID 18402284
2,2-dihydroxy-12-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one;ethane
CID 177208472
(4R,5R)-4-hydroxy-3-methoxy-5-methylcyclopent-2-en-1-one
CID 130912072
3-(4,6,6-trimethylmorpholin-2-yl)phenol
CID 70527048
2,4-dimethyl-1,3-dihydroisoquinolin-4-ol
CID 13117140
(3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol
CID 125426094
1-hydroxy-2,4-dimethylpyrazolidin-3-one
CID 19914346

Frequently Asked Questions

What is the IUPAC name of (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one?
The IUPAC name of (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one (CID 163076668) is (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one.
What is the SMILES notation for (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one?
The canonical SMILES for (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one is C[C@@H]1C(=O)C=C2[C@H]1CN(C)C[C@@]2(C)O.
What is the InChIKey of (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one?
The InChIKey is HSCGGKMCCLYDMN-DKCNOQQISA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-8-5-12(3)6-11(2,14)9(8)4-10(7)13/h4,7-8,14H,5-6H2,1-3H3/t7-,8-,11+/m0/s1.
What are the key properties of (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one?
(4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one has a molecular weight of 195.26 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S,7aS)-4-hydroxy-2,4,7-trimethyl-1,3,7,7a-tetrahydrocyclopenta[c]pyridin-6-one is sourced from PubChem (CID 163076668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).