4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one

C11H17NO — CID 13394850

IUPAC4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one
SMILESCN1C(=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17NO/c1-12-10-5-7-2-8(6-10)4-9(3-7)11(12)13/h7-10H,2-6H2,1H3
InChIKeyNGOMHSBTLDUYGH-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.65
Rot. Bonds

About 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one

4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one (PubChem CID 13394850) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one.

Molecular Properties

Compound Name4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one
PubChem CID13394850
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one
SMILESCN1C(=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17NO/c1-12-10-5-7-2-8(6-10)4-9(3-7)11(12)13/h7-10H,2-6H2,1H3
InChIKeyNGOMHSBTLDUYGH-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one?
The IUPAC name of 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one (CID 13394850) is 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one.
What is the SMILES notation for 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one?
The canonical SMILES for 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one is CN1C(=O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one?
The InChIKey is NGOMHSBTLDUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-10-5-7-2-8(6-10)4-9(3-7)11(12)13/h7-10H,2-6H2,1H3.
What are the key properties of 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one?
4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one has a molecular weight of 179.26 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-azatricyclo[4.3.1.13,8]undecan-5-one is sourced from PubChem (CID 13394850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).