(1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol

C10H19NO — CID 11105779

IUPAC(1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol
SMILESC[C@@H](O)[C@H]1CC[C@H]2CCN[C@]21C
InChIInChI=1S/C10H19NO/c1-7(12)9-4-3-8-5-6-11-10(8,9)2/h7-9,11-12H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyORKKUYLRUSEPQL-UTINFBMNSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds1

About (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol

(1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol (PubChem CID 11105779) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol
PubChem CID11105779
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol
SMILESC[C@@H](O)[C@H]1CC[C@H]2CCN[C@]21C
InChIInChI=1S/C10H19NO/c1-7(12)9-4-3-8-5-6-11-10(8,9)2/h7-9,11-12H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyORKKUYLRUSEPQL-UTINFBMNSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

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CID 83826260
(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol
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2-cyclobutyl-2-methylpiperidin-3-ol
CID 115013634
2-cyclopentyl-2-methylpiperidin-3-ol
CID 115016550
1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633
2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride
CID 115046240
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanol
CID 67403517
1-(2,2-difluorocyclobutyl)ethanol
CID 131518456
(5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 57287852
(5R,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 130253955
(3R,8S,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 68570485
(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 6452480

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol?
The IUPAC name of (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol (CID 11105779) is (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol?
The canonical SMILES for (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol is C[C@@H](O)[C@H]1CC[C@H]2CCN[C@]21C.
What is the InChIKey of (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol?
The InChIKey is ORKKUYLRUSEPQL-UTINFBMNSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(12)9-4-3-8-5-6-11-10(8,9)2/h7-9,11-12H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol?
(1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aS,6S,6aR)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6-yl]ethanol is sourced from PubChem (CID 11105779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).