6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione

C20H21NO3 — CID 66486473

IUPAC6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione
SMILESO=C1C2CC3C1OC1(C4CCCC4)C3C2C(=O)N1c1ccccc1
InChIInChI=1S/C20H21NO3/c22-17-13-10-14-16-15(13)19(23)21(12-8-2-1-3-9-12)20(16,24-18(14)17)11-6-4-5-7-11/h1-3,8-9,11,13-16,18H,4-7,10H2
InChIKeyLUCNELDSDSDTGN-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.77
Rot. Bonds2

About 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione

6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione (PubChem CID 66486473) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione.

Molecular Properties

Compound Name6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione
PubChem CID66486473
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione
SMILESO=C1C2CC3C1OC1(C4CCCC4)C3C2C(=O)N1c1ccccc1
InChIInChI=1S/C20H21NO3/c22-17-13-10-14-16-15(13)19(23)21(12-8-2-1-3-9-12)20(16,24-18(14)17)11-6-4-5-7-11/h1-3,8-9,11,13-16,18H,4-7,10H2
InChIKeyLUCNELDSDSDTGN-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione?
The IUPAC name of 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione (CID 66486473) is 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione.
What is the SMILES notation for 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione?
The canonical SMILES for 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione is O=C1C2CC3C1OC1(C4CCCC4)C3C2C(=O)N1c1ccccc1.
What is the InChIKey of 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione?
The InChIKey is LUCNELDSDSDTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-17-13-10-14-16-15(13)19(23)21(12-8-2-1-3-9-12)20(16,24-18(14)17)11-6-4-5-7-11/h1-3,8-9,11,13-16,18H,4-7,10H2.
What are the key properties of 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione?
6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione has a molecular weight of 323.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecane-4,9-dione is sourced from PubChem (CID 66486473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).