1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one

C20H23NO — CID 71382696

IUPAC1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(Nc3cccc4ccccc34)C1=O)C2(C)C
InChIInChI=1S/C20H23NO/c1-19(2)15-11-12-20(19,3)18(22)17(15)21-16-10-6-8-13-7-4-5-9-14(13)16/h4-10,15,17,21H,11-12H2,1-3H3
InChIKeyKWZITZVOFVMIPC-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.65
Rot. Bonds2

About 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one

1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one (PubChem CID 71382696) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one
PubChem CID71382696
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(Nc3cccc4ccccc34)C1=O)C2(C)C
InChIInChI=1S/C20H23NO/c1-19(2)15-11-12-20(19,3)18(22)17(15)21-16-10-6-8-13-7-4-5-9-14(13)16/h4-10,15,17,21H,11-12H2,1-3H3
InChIKeyKWZITZVOFVMIPC-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one (CID 71382696) is 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one is CC12CCC(C(Nc3cccc4ccccc34)C1=O)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one?
The InChIKey is KWZITZVOFVMIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-19(2)15-11-12-20(19,3)18(22)17(15)21-16-10-6-8-13-7-4-5-9-14(13)16/h4-10,15,17,21H,11-12H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one has a molecular weight of 293.41 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-3-(naphthalen-1-ylamino)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 71382696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).