1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone

C13H21NO — CID 153425569

IUPAC1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
SMILESCC(=O)C1=CCC[C@H]2CCC1N2C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)14-11-5-4-6-12(10(3)15)13(14)8-7-11/h6,9,11,13H,4-5,7-8H2,1-3H3/t11-,13?/m0/s1
InChIKeyKKNSVNNGDSSFFC-AMGKYWFPSA-N
MW207.32 g/mol
LogP2.54
Rot. Bonds2

About 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone

1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone (PubChem CID 153425569) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone.

Molecular Properties

Compound Name1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
PubChem CID153425569
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
SMILESCC(=O)C1=CCC[C@H]2CCC1N2C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)14-11-5-4-6-12(10(3)15)13(14)8-7-11/h6,9,11,13H,4-5,7-8H2,1-3H3/t11-,13?/m0/s1
InChIKeyKKNSVNNGDSSFFC-AMGKYWFPSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone?
The IUPAC name of 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone (CID 153425569) is 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone.
What is the SMILES notation for 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone?
The canonical SMILES for 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone is CC(=O)C1=CCC[C@H]2CCC1N2C(C)C.
What is the InChIKey of 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone?
The InChIKey is KKNSVNNGDSSFFC-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)14-11-5-4-6-12(10(3)15)13(14)8-7-11/h6,9,11,13H,4-5,7-8H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone?
1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone has a molecular weight of 207.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-9-propan-2-yl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone is sourced from PubChem (CID 153425569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).