10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one

C18H31NO — CID 58765114

IUPAC10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one
SMILESCC(C)(C)C1C(=O)NC2CCCCC2C2CCCCC21
InChIInChI=1S/C18H31NO/c1-18(2,3)16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-17(16)20/h12-16H,4-11H2,1-3H3,(H,19,20)
InChIKeyBCKCNNWINRSOPB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.14
Rot. Bonds

About 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one

10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one (PubChem CID 58765114) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one.

Molecular Properties

Compound Name10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one
PubChem CID58765114
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one
SMILESCC(C)(C)C1C(=O)NC2CCCCC2C2CCCCC21
InChIInChI=1S/C18H31NO/c1-18(2,3)16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-17(16)20/h12-16H,4-11H2,1-3H3,(H,19,20)
InChIKeyBCKCNNWINRSOPB-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-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 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one?
The IUPAC name of 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one (CID 58765114) is 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one.
What is the SMILES notation for 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one?
The canonical SMILES for 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one is CC(C)(C)C1C(=O)NC2CCCCC2C2CCCCC21.
What is the InChIKey of 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one?
The InChIKey is BCKCNNWINRSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-18(2,3)16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-17(16)20/h12-16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one?
10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one has a molecular weight of 277.45 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-8-azatricyclo[9.4.0.02,7]pentadecan-9-one is sourced from PubChem (CID 58765114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).