6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium

C16H9N2O4Y- — CID 58704992

IUPAC6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium
SMILESCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)[N-]C3=O.[Y]
InChIInChI=1S/C16H10N2O4.Y/c1-2-18-15(21)9-5-3-7-11-8(14(20)17-13(7)19)4-6-10(12(9)11)16(18)22;/h3-6H,2H2,1H3,(H,17,19,20);/p-1
InChIKeyNACORBBWKPUJHM-UHFFFAOYSA-M
MW382.16 g/mol
LogP2.12
Rot. Bonds1

About 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium

6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium (PubChem CID 58704992) has the molecular formula C16H9N2O4Y- and a molecular weight of 382.16 g/mol. Its IUPAC name is 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium.

Molecular Properties

Compound Name6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium
PubChem CID58704992
Molecular FormulaC16H9N2O4Y-
Molecular Weight382.16 g/mol
Exact Mass381.96
IUPAC Name6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium
SMILESCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)[N-]C3=O.[Y]
InChIInChI=1S/C16H10N2O4.Y/c1-2-18-15(21)9-5-3-7-11-8(14(20)17-13(7)19)4-6-10(12(9)11)16(18)22;/h3-6H,2H2,1H3,(H,17,19,20);/p-1
InChIKeyNACORBBWKPUJHM-UHFFFAOYSA-M
XLogP2.12
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium with MolForge

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Related Compounds

6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 160765942
13-ethyl-6-oxa-13-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58709206
7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;7-ethyl-18-methyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 159800215
ethanamine;13-ethyl-6-oxa-13-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 159800155
6-bromo-2-ethyl-7-nitrobenzo[de]isoquinoline-1,3-dione
CID 175028742
6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;methane;bis(N-methyl-N-phenylaniline)
CID 158691973
7,18-diethyl-11,26-di(piperidin-1-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone
CID 102413910
triethyl-[2-[5,7,12,14-tetraoxo-13-[2-(triethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium
CID 101415047
2-ethyl-6-pyrrol-1-ylbenzo[de]isoquinoline-1,3-dione
CID 86085890
2-ethyl-5-phenylisoindole-1,3-dione
CID 58482896
2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 59861072
2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
CID 58922228

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium?
The IUPAC name of 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium (CID 58704992) is 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium.
What is the SMILES notation for 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium?
The canonical SMILES for 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium is CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)[N-]C3=O.[Y].
What is the InChIKey of 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium?
The InChIKey is NACORBBWKPUJHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H10N2O4.Y/c1-2-18-15(21)9-5-3-7-11-8(14(20)17-13(7)19)4-6-10(12(9)11)16(18)22;/h3-6H,2H2,1H3,(H,17,19,20);/p-1.
What are the key properties of 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium?
6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium has a molecular weight of 382.16 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium is sourced from PubChem (CID 58704992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).