cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone

C20H27NO2 — CID 58497634

IUPACcyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
SMILESC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C(=O)C1CCCC1
InChIInChI=1S/C20H27NO2/c1-13-18-11-15-7-8-16(22)12-17(15)20(13,2)9-10-21(18)19(23)14-5-3-4-6-14/h7-8,12-14,18,22H,3-6,9-11H2,1-2H3/t13-,18+,20+/m0/s1
InChIKeyQHBXCIFRSLTITN-CYFNAFFESA-N
MW313.44 g/mol
LogP3.63
Rot. Bonds1

About cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone

cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone (PubChem CID 58497634) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
PubChem CID58497634
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Namecyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
SMILESC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C(=O)C1CCCC1
InChIInChI=1S/C20H27NO2/c1-13-18-11-15-7-8-16(22)12-17(15)20(13,2)9-10-21(18)19(23)14-5-3-4-6-14/h7-8,12-14,18,22H,3-6,9-11H2,1-2H3/t13-,18+,20+/m0/s1
InChIKeyQHBXCIFRSLTITN-CYFNAFFESA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone?
The IUPAC name of cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone (CID 58497634) is cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone.
What is the SMILES notation for cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone?
The canonical SMILES for cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone is C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone?
The InChIKey is QHBXCIFRSLTITN-CYFNAFFESA-N. The full InChI is InChI=1S/C20H27NO2/c1-13-18-11-15-7-8-16(22)12-17(15)20(13,2)9-10-21(18)19(23)14-5-3-4-6-14/h7-8,12-14,18,22H,3-6,9-11H2,1-2H3/t13-,18+,20+/m0/s1.
What are the key properties of cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone?
cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone has a molecular weight of 313.44 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone is sourced from PubChem (CID 58497634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).