3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one

C8H13NO — CID 130019879

IUPAC3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one
SMILESCC1(C)CC2NC(=O)C2C1
InChIInChI=1S/C8H13NO/c1-8(2)3-5-6(4-8)9-7(5)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyZAUSUVSELXNPGE-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds

About 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one

3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one (PubChem CID 130019879) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one
PubChem CID130019879
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one
SMILESCC1(C)CC2NC(=O)C2C1
InChIInChI=1S/C8H13NO/c1-8(2)3-5-6(4-8)9-7(5)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyZAUSUVSELXNPGE-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-azabicyclo[3.2.0]heptan-7-one
CID 549320
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CID 101377557
(3aR,6aS)-2,3,5,5-tetramethyl-3a,4,6,6a-tetrahydropentalen-1-one
CID 11137697
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CID 58388573
1,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
CID 131966008
(1S,3S,6S,8S)-6,10,10-trimethyltricyclo[6.3.0.03,6]undecan-2-one
CID 11344778
(1S,6R)-7-azabicyclo[4.2.0]oct-3-en-8-one
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one (CID 130019879) is 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one is CC1(C)CC2NC(=O)C2C1.
What is the InChIKey of 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is ZAUSUVSELXNPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2)3-5-6(4-8)9-7(5)10/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one?
3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 139.20 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 130019879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).