3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one

C21H21NO — CID 1240894

IUPAC3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C21H21NO/c1-21(2)12-17(11-18(23)13-21)22-16-7-8-20-15(10-16)9-14-5-3-4-6-19(14)20/h3-8,10-11,22H,9,12-13H2,1-2H3
InChIKeyUPVIYVOEIBWKNU-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.94
Rot. Bonds2

About 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one

3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 1240894) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one
PubChem CID1240894
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C21H21NO/c1-21(2)12-17(11-18(23)13-21)22-16-7-8-20-15(10-16)9-14-5-3-4-6-19(14)20/h3-8,10-11,22H,9,12-13H2,1-2H3
InChIKeyUPVIYVOEIBWKNU-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one (CID 1240894) is 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC(=O)C=C(Nc2ccc3c(c2)Cc2ccccc2-3)C1.
What is the InChIKey of 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is UPVIYVOEIBWKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-21(2)12-17(11-18(23)13-21)22-16-7-8-20-15(10-16)9-14-5-3-4-6-19(14)20/h3-8,10-11,22H,9,12-13H2,1-2H3.
What are the key properties of 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one?
3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 303.40 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 1240894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).