4-(9,9-dimethylfluoren-2-yl)but-3-enamide

C19H19NO — CID 170798912

IUPAC4-(9,9-dimethylfluoren-2-yl)but-3-enamide
SMILESCC1(C)c2ccccc2-c2ccc(C=CCC(N)=O)cc21
InChIInChI=1S/C19H19NO/c1-19(2)16-8-4-3-7-14(16)15-11-10-13(12-17(15)19)6-5-9-18(20)21/h3-8,10-12H,9H2,1-2H3,(H2,20,21)
InChIKeySFAKRPAGZDKORC-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.88
Rot. Bonds3

About 4-(9,9-dimethylfluoren-2-yl)but-3-enamide

4-(9,9-dimethylfluoren-2-yl)but-3-enamide (PubChem CID 170798912) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)but-3-enamide.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)but-3-enamide
PubChem CID170798912
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-(9,9-dimethylfluoren-2-yl)but-3-enamide
SMILESCC1(C)c2ccccc2-c2ccc(C=CCC(N)=O)cc21
InChIInChI=1S/C19H19NO/c1-19(2)16-8-4-3-7-14(16)15-11-10-13(12-17(15)19)6-5-9-18(20)21/h3-8,10-12H,9H2,1-2H3,(H2,20,21)
InChIKeySFAKRPAGZDKORC-UHFFFAOYSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)but-3-enamide?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)but-3-enamide (CID 170798912) is 4-(9,9-dimethylfluoren-2-yl)but-3-enamide.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)but-3-enamide?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)but-3-enamide is CC1(C)c2ccccc2-c2ccc(C=CCC(N)=O)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)but-3-enamide?
The InChIKey is SFAKRPAGZDKORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(2)16-8-4-3-7-14(16)15-11-10-13(12-17(15)19)6-5-9-18(20)21/h3-8,10-12H,9H2,1-2H3,(H2,20,21).
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)but-3-enamide?
4-(9,9-dimethylfluoren-2-yl)but-3-enamide has a molecular weight of 277.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)but-3-enamide is sourced from PubChem (CID 170798912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).