(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol

C10H17NO — CID 55255541

IUPAC(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol
SMILESOC1NC2C[C@@H]3CC1C[C@@H](C2)C3
InChIInChI=1S/C10H17NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-12H,1-5H2/t6-,7-,8?,9?,10?/m0/s1
InChIKeyMAPYNHQXIRMQAC-JXSKLUPZSA-N
MW167.25 g/mol
LogP1.10
Rot. Bonds

About (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol

(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol (PubChem CID 55255541) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol.

Molecular Properties

Compound Name(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol
PubChem CID55255541
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol
SMILESOC1NC2C[C@@H]3CC1C[C@@H](C2)C3
InChIInChI=1S/C10H17NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-12H,1-5H2/t6-,7-,8?,9?,10?/m0/s1
InChIKeyMAPYNHQXIRMQAC-JXSKLUPZSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol?
The IUPAC name of (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol (CID 55255541) is (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol.
What is the SMILES notation for (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol?
The canonical SMILES for (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol is OC1NC2C[C@@H]3CC1C[C@@H](C2)C3.
What is the InChIKey of (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol?
The InChIKey is MAPYNHQXIRMQAC-JXSKLUPZSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-12H,1-5H2/t6-,7-,8?,9?,10?/m0/s1.
What are the key properties of (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol?
(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol has a molecular weight of 167.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-5-ol is sourced from PubChem (CID 55255541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).