(4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol

C10H19NO — CID 102523493

IUPAC(4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
SMILESC[C@H]1[C@H]2CN(C)CC[C@H]2C[C@H]1O
InChIInChI=1S/C10H19NO/c1-7-9-6-11(2)4-3-8(9)5-10(7)12/h7-10,12H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKeyPHUVLFRYNMHEFY-AXTSPUMRSA-N
MW169.27 g/mol
LogP0.95
Rot. Bonds

About (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol

(4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol (PubChem CID 102523493) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol.

Molecular Properties

Compound Name(4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
PubChem CID102523493
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
SMILESC[C@H]1[C@H]2CN(C)CC[C@H]2C[C@H]1O
InChIInChI=1S/C10H19NO/c1-7-9-6-11(2)4-3-8(9)5-10(7)12/h7-10,12H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKeyPHUVLFRYNMHEFY-AXTSPUMRSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol with MolForge

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Related Compounds

(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol
CID 130920583
(4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
CID 10702612
(6R)-3-methyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 122450712
(3aR,5S,6S,7aS)-2-(1-methylpiperidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 131940845
trans-(1S,2S)-N,N-dimethyl-2-[(3R)-1-methylpyrrolidin-3-yl]cyclopropan-1-amine
CID 59871648
4-iodo-1-methylpiperidin-3-ol
CID 134434558
(3R)-1,3-dimethylpyrrolidine
CID 58412242
(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946
(3R,4R)-1,3-dimethylazepan-4-ol
CID 54116719
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
4-(1-methylpiperidin-4-yl)cyclohexan-1-ol
CID 58103882

Frequently Asked Questions

What is the IUPAC name of (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol?
The IUPAC name of (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol (CID 102523493) is (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol.
What is the SMILES notation for (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol?
The canonical SMILES for (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol is C[C@H]1[C@H]2CN(C)CC[C@H]2C[C@H]1O.
What is the InChIKey of (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol?
The InChIKey is PHUVLFRYNMHEFY-AXTSPUMRSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-9-6-11(2)4-3-8(9)5-10(7)12/h7-10,12H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1.
What are the key properties of (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol?
(4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol has a molecular weight of 169.27 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R,7S,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol is sourced from PubChem (CID 102523493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).