azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C10H19NO — CID 68529259

IUPACazane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.N
InChIInChI=1S/C10H16O.H3N/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7H,4-6H2,1-3H3;1H3
InChIKeyMGYSWTNCFDLKGC-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.56
Rot. Bonds

About azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 68529259) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Nameazane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID68529259
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameazane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.N
InChIInChI=1S/C10H16O.H3N/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7H,4-6H2,1-3H3;1H3
InChIKeyMGYSWTNCFDLKGC-UHFFFAOYSA-N
XLogP2.56
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 68529259) is azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CC12CCC(CC1=O)C2(C)C.N.
What is the InChIKey of azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is MGYSWTNCFDLKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.H3N/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7H,4-6H2,1-3H3;1H3.
What are the key properties of azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 68529259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).