1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone

C13H19NO3 — CID 73190980

IUPAC1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone
SMILESCC(=O)C1=COCC2C1CC1C(O)CC2N1C
InChIInChI=1S/C13H19NO3/c1-7(15)9-5-17-6-10-8(9)3-12-13(16)4-11(10)14(12)2/h5,8,10-13,16H,3-4,6H2,1-2H3
InChIKeyNIEQPQSSTARGLM-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.56
Rot. Bonds1

About 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone

1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone (PubChem CID 73190980) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone.

Molecular Properties

Compound Name1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone
PubChem CID73190980
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone
SMILESCC(=O)C1=COCC2C1CC1C(O)CC2N1C
InChIInChI=1S/C13H19NO3/c1-7(15)9-5-17-6-10-8(9)3-12-13(16)4-11(10)14(12)2/h5,8,10-13,16H,3-4,6H2,1-2H3
InChIKeyNIEQPQSSTARGLM-UHFFFAOYSA-N
XLogP0.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-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-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone?
The IUPAC name of 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone (CID 73190980) is 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone.
What is the SMILES notation for 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone?
The canonical SMILES for 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone is CC(=O)C1=COCC2C1CC1C(O)CC2N1C.
What is the InChIKey of 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone?
The InChIKey is NIEQPQSSTARGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-7(15)9-5-17-6-10-8(9)3-12-13(16)4-11(10)14(12)2/h5,8,10-13,16H,3-4,6H2,1-2H3.
What are the key properties of 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone?
1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-hydroxy-12-methyl-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-en-6-yl)ethanone is sourced from PubChem (CID 73190980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).