1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane

C25H39NO2 — CID 143400151

IUPAC1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane
SMILESCC.CN1CCC2c3cc(O)ccc3CC1C2CCC(=O)CCC1CCCC1
InChIInChI=1S/C23H33NO2.C2H6/c1-24-13-12-20-21(11-10-18(25)8-6-16-4-2-3-5-16)23(24)14-17-7-9-19(26)15-22(17)20;1-2/h7,9,15-16,20-21,23,26H,2-6,8,10-14H2,1H3;1-2H3
InChIKeyXGPRHLPKQXJEAE-UHFFFAOYSA-N
MW385.59 g/mol
LogP5.70
Rot. Bonds6

About 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane

1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane (PubChem CID 143400151) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane.

Molecular Properties

Compound Name1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane
PubChem CID143400151
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane
SMILESCC.CN1CCC2c3cc(O)ccc3CC1C2CCC(=O)CCC1CCCC1
InChIInChI=1S/C23H33NO2.C2H6/c1-24-13-12-20-21(11-10-18(25)8-6-16-4-2-3-5-16)23(24)14-17-7-9-19(26)15-22(17)20;1-2/h7,9,15-16,20-21,23,26H,2-6,8,10-14H2,1H3;1-2H3
InChIKeyXGPRHLPKQXJEAE-UHFFFAOYSA-N
XLogP5.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane?
The IUPAC name of 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane (CID 143400151) is 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane.
What is the SMILES notation for 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane?
The canonical SMILES for 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane is CC.CN1CCC2c3cc(O)ccc3CC1C2CCC(=O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane?
The InChIKey is XGPRHLPKQXJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2.C2H6/c1-24-13-12-20-21(11-10-18(25)8-6-16-4-2-3-5-16)23(24)14-17-7-9-19(26)15-22(17)20;1-2/h7,9,15-16,20-21,23,26H,2-6,8,10-14H2,1H3;1-2H3.
What are the key properties of 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane?
1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane has a molecular weight of 385.59 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(4-hydroxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one;ethane is sourced from PubChem (CID 143400151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).