1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone

C15H23NO — CID 134855894

IUPAC1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone
SMILESCC(=O)C1CCC23CCC=CN2[C@@]1(C)CCC3
InChIInChI=1S/C15H23NO/c1-12(17)13-6-10-15-8-3-4-11-16(15)14(13,2)7-5-9-15/h4,11,13H,3,5-10H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyPODZWYJRKYQJTD-SLTAFYQDSA-N
MW233.35 g/mol
LogP3.28
Rot. Bonds1

About 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone

1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone (PubChem CID 134855894) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone.

Molecular Properties

Compound Name1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone
PubChem CID134855894
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone
SMILESCC(=O)C1CCC23CCC=CN2[C@@]1(C)CCC3
InChIInChI=1S/C15H23NO/c1-12(17)13-6-10-15-8-3-4-11-16(15)14(13,2)7-5-9-15/h4,11,13H,3,5-10H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyPODZWYJRKYQJTD-SLTAFYQDSA-N
XLogP3.28
TPSA20.31 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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone with MolForge

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Related Compounds

N-Methylalbine
CID 91748139
(1S,2S)-9-methyl-2-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-one
CID 134965756
1-(7-Methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl)ethanone
CID 13819063
1-[(7R,8S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone
CID 59620933
11-Methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
CID 163080137
(1S,2R,9R,12R)-11-Methyl-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
CID 12991908
(1R,2R,5S)-9-methyl-2-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-one
CID 71769716
(1S,2R,9S,10S)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
CID 101762347
(1S,2S,9S,10S)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
CID 163080138

Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone?
The IUPAC name of 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone (CID 134855894) is 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone.
What is the SMILES notation for 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone?
The canonical SMILES for 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone is CC(=O)C1CCC23CCC=CN2[C@@]1(C)CCC3.
What is the InChIKey of 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone?
The InChIKey is PODZWYJRKYQJTD-SLTAFYQDSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(17)13-6-10-15-8-3-4-11-16(15)14(13,2)7-5-9-15/h4,11,13H,3,5-10H2,1-2H3/t13?,14-,15?/m0/s1.
What are the key properties of 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone?
1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone has a molecular weight of 233.35 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-7-methyl-6-azatricyclo[5.3.3.01,6]tridec-4-en-8-yl]ethanone is sourced from PubChem (CID 134855894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).