11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one

C15H22N2O — CID 14377898

IUPAC11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
SMILESC=CCCN1CC2CC(C1)C1CC(=O)C=CN1C2
InChIInChI=1S/C15H22N2O/c1-2-3-5-16-9-12-7-13(11-16)15-8-14(18)4-6-17(15)10-12/h2,4,6,12-13,15H,1,3,5,7-11H2
InChIKeyQEFLZWOIQICVRH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.67
Rot. Bonds3

About 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one

11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one (PubChem CID 14377898) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one.

Molecular Properties

Compound Name11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
PubChem CID14377898
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
SMILESC=CCCN1CC2CC(C1)C1CC(=O)C=CN1C2
InChIInChI=1S/C15H22N2O/c1-2-3-5-16-9-12-7-13(11-16)15-8-14(18)4-6-17(15)10-12/h2,4,6,12-13,15H,1,3,5,7-11H2
InChIKeyQEFLZWOIQICVRH-UHFFFAOYSA-N
XLogP1.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-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

(7S,7aS,14S,14aR)-1,7,7a,8,9,10,11,13,14,14a-Decahydro-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-2-one
CID 6918763
Albine
CID 12991907
NoName_4034
CID 119038
(1R,2R,9R,12S)-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
CID 91747723
N-Methylalbine
CID 91748139
N-Formylalbine
CID 91748400
(1s,5r,11Ar)-3-(but-3-en-1-yl)-1,2,3,4,5,6,11,11a-octahydro-10h-1,5-methanopyrido[1,2-a][1,5]diazocin-10-one
CID 160872
(1S,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one
CID 162886558
(-)-Albine
CID 185761
2,3-Didehydrospartein-4-one
CID 442957
12-Prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
CID 4486243
(1R,2R,9R,12R)-12-Prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
CID 442936

Frequently Asked Questions

What is the IUPAC name of 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one?
The IUPAC name of 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one (CID 14377898) is 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one.
What is the SMILES notation for 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one?
The canonical SMILES for 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one is C=CCCN1CC2CC(C1)C1CC(=O)C=CN1C2.
What is the InChIKey of 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one?
The InChIKey is QEFLZWOIQICVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-5-16-9-12-7-13(11-16)15-8-14(18)4-6-17(15)10-12/h2,4,6,12-13,15H,1,3,5,7-11H2.
What are the key properties of 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one?
11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one has a molecular weight of 246.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one is sourced from PubChem (CID 14377898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).