5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one

C18H19NO — CID 794390

IUPAC5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(Nc2cccc3ccccc23)C1
InChIInChI=1S/C18H19NO/c1-18(2)11-14(10-15(20)12-18)19-17-9-5-7-13-6-3-4-8-16(13)17/h3-10,19H,11-12H2,1-2H3
InChIKeyZVYMYGQWWCCFNZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.52
Rot. Bonds2

About 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one

5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one (PubChem CID 794390) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one
PubChem CID794390
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(Nc2cccc3ccccc23)C1
InChIInChI=1S/C18H19NO/c1-18(2)11-14(10-15(20)12-18)19-17-9-5-7-13-6-3-4-8-16(13)17/h3-10,19H,11-12H2,1-2H3
InChIKeyZVYMYGQWWCCFNZ-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one (CID 794390) is 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one is CC1(C)CC(=O)C=C(Nc2cccc3ccccc23)C1.
What is the InChIKey of 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one?
The InChIKey is ZVYMYGQWWCCFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-18(2)11-14(10-15(20)12-18)19-17-9-5-7-13-6-3-4-8-16(13)17/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one?
5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(naphthalen-1-ylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 794390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).