(4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol

C9H17NO — CID 130891305

IUPAC(4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol
SMILESCN1CC[C@H](O)C2CCCC21
InChIInChI=1S/C9H17NO/c1-10-6-5-9(11)7-3-2-4-8(7)10/h7-9,11H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeySYOFKZCZCYMACF-HACHORDNSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds

About (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol

(4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol (PubChem CID 130891305) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol.

Molecular Properties

Compound Name(4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol
PubChem CID130891305
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol
SMILESCN1CC[C@H](O)C2CCCC21
InChIInChI=1S/C9H17NO/c1-10-6-5-9(11)7-3-2-4-8(7)10/h7-9,11H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeySYOFKZCZCYMACF-HACHORDNSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol with MolForge

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Related Compounds

1-[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 7107075
ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine
CID 142426255
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide
CID 6558760
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
1-methyl-2-(2-methylcyclooctyl)azocane
CID 90987666
2-methoxy-1-methylpyrrolidin-3-ol
CID 139998921
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324
2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339029
2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339739
N-[(4aR,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]benzamide
CID 102565357

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol?
The IUPAC name of (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol (CID 130891305) is (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol.
What is the SMILES notation for (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol?
The canonical SMILES for (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol is CN1CC[C@H](O)C2CCCC21.
What is the InChIKey of (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol?
The InChIKey is SYOFKZCZCYMACF-HACHORDNSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-6-5-9(11)7-3-2-4-8(7)10/h7-9,11H,2-6H2,1H3/t7?,8?,9-/m0/s1.
What are the key properties of (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol?
(4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol is sourced from PubChem (CID 130891305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).