10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one

C14H14N4O2 — CID 68925768

IUPAC10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one
SMILESO=C1N2Cc3[nH]ncc3C(C2)N1OCc1ccccc1
InChIInChI=1S/C14H14N4O2/c19-14-17-7-12-11(6-15-16-12)13(8-17)18(14)20-9-10-4-2-1-3-5-10/h1-6,13H,7-9H2,(H,15,16)
InChIKeyAJARIXNKWRENAE-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.83
Rot. Bonds3

About 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one

10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one (PubChem CID 68925768) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one.

Molecular Properties

Compound Name10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one
PubChem CID68925768
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one
SMILESO=C1N2Cc3[nH]ncc3C(C2)N1OCc1ccccc1
InChIInChI=1S/C14H14N4O2/c19-14-17-7-12-11(6-15-16-12)13(8-17)18(14)20-9-10-4-2-1-3-5-10/h1-6,13H,7-9H2,(H,15,16)
InChIKeyAJARIXNKWRENAE-UHFFFAOYSA-N
XLogP1.83
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one with MolForge

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Related Compounds

methyl formate;10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one
CID 142470615
3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one
CID 69345757
2-[(1S)-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-7-yl]propan-2-ylcarbamic acid
CID 91472260
10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one
CID 142675510
N-hydroxy-N'-methylmethanimidamide;methanol;2-(9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-5-yl)acetaldehyde
CID 142470544
(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
CID 135376539
(1S)-9-oxo-5-phenyl-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
CID 68929511
(1R,7S)-5-(2,2-dihydroxyethyl)-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
CID 135376318
(1R,7S)-N,N,5-trimethyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxamide
CID 135207310
(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one
CID 155352649
4-ethenyl-9-oxo-10-phenylmethoxy-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
CID 69147604
ethane;methyl formate;6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144936982

Frequently Asked Questions

What is the IUPAC name of 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one?
The IUPAC name of 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one (CID 68925768) is 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one.
What is the SMILES notation for 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one?
The canonical SMILES for 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one is O=C1N2Cc3[nH]ncc3C(C2)N1OCc1ccccc1.
What is the InChIKey of 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one?
The InChIKey is AJARIXNKWRENAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-14-17-7-12-11(6-15-16-12)13(8-17)18(14)20-9-10-4-2-1-3-5-10/h1-6,13H,7-9H2,(H,15,16).
What are the key properties of 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one?
10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one has a molecular weight of 270.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one is sourced from PubChem (CID 68925768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).