(9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol

C15H15NO — CID 27700

IUPAC(9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
SMILESN[C@H]1c2ccccc2Cc2ccccc2[C@H]1O
InChIInChI=1S/C15H15NO/c16-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15(14)17/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1
InChIKeyLHXJSFVOWHJWNC-LSDHHAIUSA-N
MW225.29 g/mol
LogP2.32
Rot. Bonds

About (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol

(9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol (PubChem CID 27700) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol.

Molecular Properties

Compound Name(9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
PubChem CID27700
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
SMILESN[C@H]1c2ccccc2Cc2ccccc2[C@H]1O
InChIInChI=1S/C15H15NO/c16-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15(14)17/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1
InChIKeyLHXJSFVOWHJWNC-LSDHHAIUSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol?
The IUPAC name of (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol (CID 27700) is (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol.
What is the SMILES notation for (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol?
The canonical SMILES for (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol is N[C@H]1c2ccccc2Cc2ccccc2[C@H]1O.
What is the InChIKey of (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol?
The InChIKey is LHXJSFVOWHJWNC-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H15NO/c16-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15(14)17/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1.
What are the key properties of (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol?
(9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol has a molecular weight of 225.29 g/mol, XLogP of 2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10S)-10-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol is sourced from PubChem (CID 27700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).