11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione

C18H21NO2 — CID 58821966

IUPAC11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
SMILESCCCCN1C(=O)C2C3CCC(c4ccccc43)C2C1=O
InChIInChI=1S/C18H21NO2/c1-2-3-10-19-17(20)15-13-8-9-14(16(15)18(19)21)12-7-5-4-6-11(12)13/h4-7,13-16H,2-3,8-10H2,1H3
InChIKeyUXFFMFDHICDFKK-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.06
Rot. Bonds3

About 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione

11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione (PubChem CID 58821966) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione.

Molecular Properties

Compound Name11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
PubChem CID58821966
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione
SMILESCCCCN1C(=O)C2C3CCC(c4ccccc43)C2C1=O
InChIInChI=1S/C18H21NO2/c1-2-3-10-19-17(20)15-13-8-9-14(16(15)18(19)21)12-7-5-4-6-11(12)13/h4-7,13-16H,2-3,8-10H2,1H3
InChIKeyUXFFMFDHICDFKK-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione with MolForge

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Related Compounds

11-Benzyl-11-azatetracyclo[6.5.2.0~2,7~.0~9,13~]pentadeca-2,4,6-triene-10,12,14-trione
CID 2832443
3-(4-Methylbenzyl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 2942279
3-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)propanoic acid
CID 3104046
11-Allyl-11-azatetracyclo[6.5.2.0~2,7~.0~9,13~]pentadeca-2,4,6-triene-10,12,14-trione
CID 3111639
2-(2-phenylethyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
CID 2884773
1-Adamantyl(1,3-dihydroisoindol-2-yl)methanone
CID 71559523
9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboximide
CID 601392
Rac 109
CID 167664
2-phenethyl-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione
CID 2856948
2-cyclohexyl-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2902740
2-(2,5-Dioxo-1-pyrrolidinyl)-3a,4,9,9a-tetrahydro-4,9[1',2']-benzeno-1H-benz[f]isoindole-1,3(2H)-dione
CID 2952807
N-(2-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}ethyl)acetamide
CID 2960427

Frequently Asked Questions

What is the IUPAC name of 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione?
The IUPAC name of 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione (CID 58821966) is 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione.
What is the SMILES notation for 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione?
The canonical SMILES for 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione is CCCCN1C(=O)C2C3CCC(c4ccccc43)C2C1=O.
What is the InChIKey of 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione?
The InChIKey is UXFFMFDHICDFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-3-10-19-17(20)15-13-8-9-14(16(15)18(19)21)12-7-5-4-6-11(12)13/h4-7,13-16H,2-3,8-10H2,1H3.
What are the key properties of 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione?
11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione has a molecular weight of 283.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-butyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12-dione is sourced from PubChem (CID 58821966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).