11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C13H18N2O2 — CID 162911611

IUPAC11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCCON1CC2CC(C1)c1cccc(=O)n1C2
InChIInChI=1S/C13H18N2O2/c1-2-17-14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h3-5,10-11H,2,6-9H2,1H3
InChIKeyQJWHXSDVWMHURF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds2

About 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 162911611) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID162911611
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCCON1CC2CC(C1)c1cccc(=O)n1C2
InChIInChI=1S/C13H18N2O2/c1-2-17-14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h3-5,10-11H,2,6-9H2,1H3
InChIKeyQJWHXSDVWMHURF-UHFFFAOYSA-N
XLogP1.22
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxylate
CID 162954329
(1R,9S)-11-(111C)methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 10655771
11-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171157233
(1S,9R)-11-(3-ethoxy-2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163355762
(1R,9S)-11-[(2R)-2-amino-3-methylpentanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 133141902
iodomethane;(1S,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 18477681
(1S,9R)-11-[(2S)-2-amino-3-methylpentanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
CID 44667928
(1R,9S)-11-[(2R)-2-amino-3-methylpentanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
CID 133141901
2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetic acid
CID 98202622
(1R,9S)-11-[(4-ethylphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 23911018
(1R,9R)-N-methyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
CID 40542666
(1R,9S)-11-[(2-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 767403

Frequently Asked Questions

What is the IUPAC name of 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 162911611) is 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is CCON1CC2CC(C1)c1cccc(=O)n1C2.
What is the InChIKey of 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is QJWHXSDVWMHURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 234.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 162911611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).