11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C15H24N2O — CID 73196906

IUPAC11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESC=CCCN1CC2CC(C1)C1CCCC(=O)N1C2
InChIInChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2
InChIKeyOKTIETCHYDTVGN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.90
Rot. Bonds3

About 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 73196906) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID73196906
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESC=CCCN1CC2CC(C1)C1CCCC(=O)N1C2
InChIInChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2
InChIKeyOKTIETCHYDTVGN-UHFFFAOYSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 73196906) is 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is C=CCCN1CC2CC(C1)C1CCCC(=O)N1C2.
What is the InChIKey of 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is OKTIETCHYDTVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2.
What are the key properties of 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 248.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 73196906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).