1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one

C10H14O — CID 144805594

IUPAC1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one
SMILESCC12CC3CC(=O)C1(C)C32C
InChIInChI=1S/C10H14O/c1-8-5-6-4-7(11)10(8,3)9(6,8)2/h6H,4-5H2,1-3H3
InChIKeySYWJIFLLYCUZDY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one

1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one (PubChem CID 144805594) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one.

Molecular Properties

Compound Name1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one
PubChem CID144805594
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one
SMILESCC12CC3CC(=O)C1(C)C32C
InChIInChI=1S/C10H14O/c1-8-5-6-4-7(11)10(8,3)9(6,8)2/h6H,4-5H2,1-3H3
InChIKeySYWJIFLLYCUZDY-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one?
The IUPAC name of 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one (CID 144805594) is 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one.
What is the SMILES notation for 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one?
The canonical SMILES for 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one is CC12CC3CC(=O)C1(C)C32C.
What is the InChIKey of 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one?
The InChIKey is SYWJIFLLYCUZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-5-6-4-7(11)10(8,3)9(6,8)2/h6H,4-5H2,1-3H3.
What are the key properties of 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one?
1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one has a molecular weight of 150.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one is sourced from PubChem (CID 144805594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).