(1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol

C11H19NO — CID 130816097

IUPAC(1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
SMILESO[C@]12CC[C@H](C[C@@H]3NCCC[C@@H]31)C2
InChIInChI=1S/C11H19NO/c13-11-4-3-8(7-11)6-10-9(11)2-1-5-12-10/h8-10,12-13H,1-7H2/t8-,9+,10+,11+/m1/s1
InChIKeyQDWOJOIGTYRLQU-RCWTZXSCSA-N
MW181.28 g/mol
LogP1.29
Rot. Bonds

About (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol

(1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol (PubChem CID 130816097) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol.

Molecular Properties

Compound Name(1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
PubChem CID130816097
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
SMILESO[C@]12CC[C@H](C[C@@H]3NCCC[C@@H]31)C2
InChIInChI=1S/C11H19NO/c13-11-4-3-8(7-11)6-10-9(11)2-1-5-12-10/h8-10,12-13H,1-7H2/t8-,9+,10+,11+/m1/s1
InChIKeyQDWOJOIGTYRLQU-RCWTZXSCSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,6S,8R)-5-azatricyclo[6.2.1.02,6]undecan-1-ol
CID 130835060
(1R,2R,7R,9S,12S)-12-methyl-6-azatricyclo[7.2.1.02,7]dodecan-1-ol
CID 102158288
(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 130792375
tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021
(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
2-azabicyclo[4.1.0]heptane;molecular hydrogen
CID 144713678
1-methyl-2-(6-methyl-3-bicyclo[4.2.1]nonanyl)cyclopropan-1-ol
CID 123164851
(5-phosphono-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[b]pyridin-5-yl)phosphonic acid
CID 15234319
2-pyrrolidin-2-ylpiperidine
CID 14810994
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol
CID 80561124
3-amino-1-piperidin-2-ylcyclopentan-1-ol
CID 80562855

Frequently Asked Questions

What is the IUPAC name of (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol?
The IUPAC name of (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol (CID 130816097) is (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol.
What is the SMILES notation for (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol?
The canonical SMILES for (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol is O[C@]12CC[C@H](C[C@@H]3NCCC[C@@H]31)C2.
What is the InChIKey of (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol?
The InChIKey is QDWOJOIGTYRLQU-RCWTZXSCSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-4-3-8(7-11)6-10-9(11)2-1-5-12-10/h8-10,12-13H,1-7H2/t8-,9+,10+,11+/m1/s1.
What are the key properties of (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol?
(1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,7S,9R)-6-azatricyclo[7.2.1.02,7]dodecan-1-ol is sourced from PubChem (CID 130816097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).