6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

C21H21NO2 — CID 59132932

IUPAC6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESCC1CCC(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)CC1
InChIInChI=1S/C21H21NO2/c1-12-2-8-15(9-3-12)22-20(23)16-10-6-13-4-5-14-7-11-17(21(22)24)19(16)18(13)14/h6-7,10-12,15H,2-5,8-9H2,1H3
InChIKeyDTHDVXTVHOROQH-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.11
Rot. Bonds1

About 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (PubChem CID 59132932) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
PubChem CID59132932
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESCC1CCC(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)CC1
InChIInChI=1S/C21H21NO2/c1-12-2-8-15(9-3-12)22-20(23)16-10-6-13-4-5-14-7-11-17(21(22)24)19(16)18(13)14/h6-7,10-12,15H,2-5,8-9H2,1H3
InChIKeyDTHDVXTVHOROQH-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The IUPAC name of 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (CID 59132932) is 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.
What is the SMILES notation for 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The canonical SMILES for 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is CC1CCC(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)CC1.
What is the InChIKey of 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The InChIKey is DTHDVXTVHOROQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-12-2-8-15(9-3-12)22-20(23)16-10-6-13-4-5-14-7-11-17(21(22)24)19(16)18(13)14/h6-7,10-12,15H,2-5,8-9H2,1H3.
What are the key properties of 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione has a molecular weight of 319.40 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is sourced from PubChem (CID 59132932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).