14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one

C14H16N2O — CID 10988004

IUPAC14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one
SMILESCc1ccc2c(c1)C1=NNC(=O)CC1CCC2
InChIInChI=1S/C14H16N2O/c1-9-5-6-10-3-2-4-11-8-13(17)15-16-14(11)12(10)7-9/h5-7,11H,2-4,8H2,1H3,(H,15,17)
InChIKeyUUPDRENMXHXRLO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.17
Rot. Bonds

About 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one

14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one (PubChem CID 10988004) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one.

Molecular Properties

Compound Name14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one
PubChem CID10988004
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one
SMILESCc1ccc2c(c1)C1=NNC(=O)CC1CCC2
InChIInChI=1S/C14H16N2O/c1-9-5-6-10-3-2-4-11-8-13(17)15-16-14(11)12(10)7-9/h5-7,11H,2-4,8H2,1H3,(H,15,17)
InChIKeyUUPDRENMXHXRLO-UHFFFAOYSA-N
XLogP2.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one?
The IUPAC name of 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one (CID 10988004) is 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one.
What is the SMILES notation for 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one?
The canonical SMILES for 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one is Cc1ccc2c(c1)C1=NNC(=O)CC1CCC2.
What is the InChIKey of 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one?
The InChIKey is UUPDRENMXHXRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-5-6-10-3-2-4-11-8-13(17)15-16-14(11)12(10)7-9/h5-7,11H,2-4,8H2,1H3,(H,15,17).
What are the key properties of 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one?
14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one has a molecular weight of 228.30 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-5-one is sourced from PubChem (CID 10988004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).