4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one

C17H31NO — CID 130347789

IUPAC4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one
SMILESCC1CC(C)CC2C(C1)NC(=O)C(C)(C)CC2(C)C
InChIInChI=1S/C17H31NO/c1-11-7-12(2)9-14-13(8-11)16(3,4)10-17(5,6)15(19)18-14/h11-14H,7-10H2,1-6H3,(H,18,19)
InChIKeyOYSSXQRFSXWBTG-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.00
Rot. Bonds

About 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one

4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one (PubChem CID 130347789) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one.

Molecular Properties

Compound Name4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one
PubChem CID130347789
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one
SMILESCC1CC(C)CC2C(C1)NC(=O)C(C)(C)CC2(C)C
InChIInChI=1S/C17H31NO/c1-11-7-12(2)9-14-13(8-11)16(3,4)10-17(5,6)15(19)18-14/h11-14H,7-10H2,1-6H3,(H,18,19)
InChIKeyOYSSXQRFSXWBTG-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4,6-dimethylcyclooctan-1-one
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(4R)-3,3,4-trimethylazetidin-2-one
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CID 64734474
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Frequently Asked Questions

What is the IUPAC name of 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one?
The IUPAC name of 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one (CID 130347789) is 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one.
What is the SMILES notation for 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one?
The canonical SMILES for 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one is CC1CC(C)CC2C(C1)NC(=O)C(C)(C)CC2(C)C.
What is the InChIKey of 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one?
The InChIKey is OYSSXQRFSXWBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-11-7-12(2)9-14-13(8-11)16(3,4)10-17(5,6)15(19)18-14/h11-14H,7-10H2,1-6H3,(H,18,19).
What are the key properties of 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one?
4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one has a molecular weight of 265.44 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,9,11-hexamethyl-2-azabicyclo[5.5.0]dodecan-3-one is sourced from PubChem (CID 130347789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).