(1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one

C14H21NO — CID 15013841

IUPAC(1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESCCCN1[C@@H]2C=CC(=O)[C@]13CCC[C@]3(C)C2
InChIInChI=1S/C14H21NO/c1-3-9-15-11-5-6-12(16)14(15)8-4-7-13(14,2)10-11/h5-6,11H,3-4,7-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyCKKJARJIPZJHLZ-BNOWGMLFSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds2

About (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one

(1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one (PubChem CID 15013841) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one.

Molecular Properties

Compound Name(1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one
PubChem CID15013841
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESCCCN1[C@@H]2C=CC(=O)[C@]13CCC[C@]3(C)C2
InChIInChI=1S/C14H21NO/c1-3-9-15-11-5-6-12(16)14(15)8-4-7-13(14,2)10-11/h5-6,11H,3-4,7-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyCKKJARJIPZJHLZ-BNOWGMLFSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one 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 (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one?
The IUPAC name of (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one (CID 15013841) is (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one.
What is the SMILES notation for (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one?
The canonical SMILES for (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one is CCCN1[C@@H]2C=CC(=O)[C@]13CCC[C@]3(C)C2.
What is the InChIKey of (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one?
The InChIKey is CKKJARJIPZJHLZ-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-9-15-11-5-6-12(16)14(15)8-4-7-13(14,2)10-11/h5-6,11H,3-4,7-10H2,1-2H3/t11-,13-,14+/m1/s1.
What are the key properties of (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one?
(1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one has a molecular weight of 219.33 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 (1R,5R,7S)-5-methyl-11-propyl-11-azatricyclo[5.3.1.01,5]undec-8-en-10-one is sourced from PubChem (CID 15013841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).