4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one

C15H23NO — CID 78130764

IUPAC4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one
SMILESCCN1CC2C3CC4CC(C3)CC2(CC1=O)C4
InChIInChI=1S/C15H23NO/c1-2-16-9-13-12-4-10-3-11(5-12)7-15(13,6-10)8-14(16)17/h10-13H,2-9H2,1H3
InChIKeyVZZHQSFZOHNJSK-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.68
Rot. Bonds1

About 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one

4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one (PubChem CID 78130764) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one.

Molecular Properties

Compound Name4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one
PubChem CID78130764
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one
SMILESCCN1CC2C3CC4CC(C3)CC2(CC1=O)C4
InChIInChI=1S/C15H23NO/c1-2-16-9-13-12-4-10-3-11(5-12)7-15(13,6-10)8-14(16)17/h10-13H,2-9H2,1H3
InChIKeyVZZHQSFZOHNJSK-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane
CID 44590878
(4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one
CID 101074839
4-ethyl-7,7-dimethyl-5-oxo-1,4-thiazepane-2-carboxamide
CID 173202897
1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one
CID 68907576
4-cyclohexyl-1-ethylimidazolidin-2-one
CID 89080819
1-ethyl-5-methylpiperidine-2,4-dione
CID 14800179
2-(1-adamantyl)-5,5-dimethylcyclohexane-1,3-dione
CID 12021695
2-ethyl-7,7-dimethyl-4,6,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-3-one
CID 145406806
1-ethyl-5-propan-2-ylpiperazin-2-one
CID 44630618
3-(1-adamantyl)-5-propylimidazolidine-2,4-dione
CID 43630187
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-ethyl-4,5-dimethylpiperazin-2-one
CID 156824665

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one?
The IUPAC name of 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one (CID 78130764) is 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one.
What is the SMILES notation for 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one?
The canonical SMILES for 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one is CCN1CC2C3CC4CC(C3)CC2(CC1=O)C4.
What is the InChIKey of 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one?
The InChIKey is VZZHQSFZOHNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-16-9-13-12-4-10-3-11(5-12)7-15(13,6-10)8-14(16)17/h10-13H,2-9H2,1H3.
What are the key properties of 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one?
4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one has a molecular weight of 233.35 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-azatetracyclo[7.3.1.17,11.01,6]tetradecan-3-one is sourced from PubChem (CID 78130764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).