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

C11H21NO — CID 103935223

IUPAC(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol
SMILESC[C@H](O)CN1CCCC2CCCC21
InChIInChI=1S/C11H21NO/c1-9(13)8-12-7-3-5-10-4-2-6-11(10)12/h9-11,13H,2-8H2,1H3/t9-,10?,11?/m0/s1
InChIKeyQWSGBWGWOBKMKB-WHXUTIOJSA-N
MW183.30 g/mol
LogP1.63
Rot. Bonds2

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

(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol (PubChem CID 103935223) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol
PubChem CID103935223
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol
SMILESC[C@H](O)CN1CCCC2CCCC21
InChIInChI=1S/C11H21NO/c1-9(13)8-12-7-3-5-10-4-2-6-11(10)12/h9-11,13H,2-8H2,1H3/t9-,10?,11?/m0/s1
InChIKeyQWSGBWGWOBKMKB-WHXUTIOJSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol (CID 103935223) is (2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol is C[C@H](O)CN1CCCC2CCCC21.
What is the InChIKey of (2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol?
The InChIKey is QWSGBWGWOBKMKB-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)8-12-7-3-5-10-4-2-6-11(10)12/h9-11,13H,2-8H2,1H3/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol?
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol has a molecular weight of 183.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol is sourced from PubChem (CID 103935223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).