7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

C17H20N2O3 — CID 110384107

IUPAC7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
SMILESO=C(c1cc2c3c(c1)CCC(=O)N3CCC2)N1CCOCC1
InChIInChI=1S/C17H20N2O3/c20-15-4-3-13-11-14(17(21)18-6-8-22-9-7-18)10-12-2-1-5-19(15)16(12)13/h10-11H,1-9H2
InChIKeyKLRGWVIEPSQSBT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.38
Rot. Bonds1

About 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (PubChem CID 110384107) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
PubChem CID110384107
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
SMILESO=C(c1cc2c3c(c1)CCC(=O)N3CCC2)N1CCOCC1
InChIInChI=1S/C17H20N2O3/c20-15-4-3-13-11-14(17(21)18-6-8-22-9-7-18)10-12-2-1-5-19(15)16(12)13/h10-11H,1-9H2
InChIKeyKLRGWVIEPSQSBT-UHFFFAOYSA-N
XLogP1.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(azepane-1-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384168
7-(4-ethylpiperazine-1-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384113
7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384157
ethyl 2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxylate
CID 116993198
N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
CID 110384100
N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
CID 110384162
methyl 2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylate
CID 116993329
6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 110384292
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
7-(4-acetylpiperazin-1-yl)sulfonyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 7527021
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
7-(1-aminoethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 116993141

Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The IUPAC name of 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (CID 110384107) is 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.
What is the SMILES notation for 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The canonical SMILES for 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is O=C(c1cc2c3c(c1)CCC(=O)N3CCC2)N1CCOCC1.
What is the InChIKey of 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The InChIKey is KLRGWVIEPSQSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-15-4-3-13-11-14(17(21)18-6-8-22-9-7-18)10-12-2-1-5-19(15)16(12)13/h10-11H,1-9H2.
What are the key properties of 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is sourced from PubChem (CID 110384107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).