2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one

C15H23NO — CID 10609692

IUPAC2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one
SMILESC=C1CC[C@]2(C)CN=C(C(=O)C(C)(C)C)[C@H]1C2
InChIInChI=1S/C15H23NO/c1-10-6-7-15(5)8-11(10)12(16-9-15)13(17)14(2,3)4/h11H,1,6-9H2,2-5H3/t11-,15-/m0/s1
InChIKeyBWALHALEQAXJCB-NHYWBVRUSA-N
MW233.35 g/mol
LogP3.42
Rot. Bonds1

About 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one

2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one (PubChem CID 10609692) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one
PubChem CID10609692
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one
SMILESC=C1CC[C@]2(C)CN=C(C(=O)C(C)(C)C)[C@H]1C2
InChIInChI=1S/C15H23NO/c1-10-6-7-15(5)8-11(10)12(16-9-15)13(17)14(2,3)4/h11H,1,6-9H2,2-5H3/t11-,15-/m0/s1
InChIKeyBWALHALEQAXJCB-NHYWBVRUSA-N
XLogP3.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.42
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 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one (CID 10609692) is 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one is C=C1CC[C@]2(C)CN=C(C(=O)C(C)(C)C)[C@H]1C2.
What is the InChIKey of 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one?
The InChIKey is BWALHALEQAXJCB-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-6-7-15(5)8-11(10)12(16-9-15)13(17)14(2,3)4/h11H,1,6-9H2,2-5H3/t11-,15-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one?
2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(1S,5S)-5-methyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl]propan-1-one is sourced from PubChem (CID 10609692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).