(1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C15H20N2O — CID 162959883

IUPAC(1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESC=CC[C@@H]1[C@H]2C[C@H](CN1C)c1cccc(=O)n1C2
InChIInChI=1S/C15H20N2O/c1-3-5-13-12-8-11(9-16(13)2)14-6-4-7-15(18)17(14)10-12/h3-4,6-7,11-13H,1,5,8-10H2,2H3/t11-,12+,13-/m1/s1
InChIKeyVUJISNFQYSHCGH-FRRDWIJNSA-N
MW244.34 g/mol
LogP1.84
Rot. Bonds2

About (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

(1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 162959883) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name(1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID162959883
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESC=CC[C@@H]1[C@H]2C[C@H](CN1C)c1cccc(=O)n1C2
InChIInChI=1S/C15H20N2O/c1-3-5-13-12-8-11(9-16(13)2)14-6-4-7-15(18)17(14)10-12/h3-4,6-7,11-13H,1,5,8-10H2,2H3/t11-,12+,13-/m1/s1
InChIKeyVUJISNFQYSHCGH-FRRDWIJNSA-N
XLogP1.84
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 162959883) is (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is C=CC[C@@H]1[C@H]2C[C@H](CN1C)c1cccc(=O)n1C2.
What is the InChIKey of (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is VUJISNFQYSHCGH-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-5-13-12-8-11(9-16(13)2)14-6-4-7-15(18)17(14)10-12/h3-4,6-7,11-13H,1,5,8-10H2,2H3/t11-,12+,13-/m1/s1.
What are the key properties of (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
(1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 244.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 162959883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).