2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate

C19H20N2O2 — CID 102600305

IUPAC2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate
SMILESCC(=O)OCCC1(C)Cc2ccccc2-c2ccccc2/N=N\1
InChIInChI=1S/C19H20N2O2/c1-14(22)23-12-11-19(2)13-15-7-3-4-8-16(15)17-9-5-6-10-18(17)20-21-19/h3-10H,11-13H2,1-2H3/b21-20-
InChIKeyJMNDCSKNAHCPRJ-MRCUWXFGSA-N
MW308.38 g/mol
LogP4.71
Rot. Bonds3

About 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate

2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate (PubChem CID 102600305) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate.

Molecular Properties

Compound Name2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate
PubChem CID102600305
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate
SMILESCC(=O)OCCC1(C)Cc2ccccc2-c2ccccc2/N=N\1
InChIInChI=1S/C19H20N2O2/c1-14(22)23-12-11-19(2)13-15-7-3-4-8-16(15)17-9-5-6-10-18(17)20-21-19/h3-10H,11-13H2,1-2H3/b21-20-
InChIKeyJMNDCSKNAHCPRJ-MRCUWXFGSA-N
XLogP4.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate?
The IUPAC name of 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate (CID 102600305) is 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate.
What is the SMILES notation for 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate?
The canonical SMILES for 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate is CC(=O)OCCC1(C)Cc2ccccc2-c2ccccc2/N=N\1.
What is the InChIKey of 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate?
The InChIKey is JMNDCSKNAHCPRJ-MRCUWXFGSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(22)23-12-11-19(2)13-15-7-3-4-8-16(15)17-9-5-6-10-18(17)20-21-19/h3-10H,11-13H2,1-2H3/b21-20-.
What are the key properties of 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate?
2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate has a molecular weight of 308.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,12,14-heptaen-10-yl)ethyl acetate is sourced from PubChem (CID 102600305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).