(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate

C19H16O2 — CID 59476828

IUPAC(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate
SMILESC=CC1(OC(=O)C(=C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16O2/c1-4-19(21-18(20)13(2)3)16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h4-12H,1-2H2,3H3
InChIKeyZIMKGQDHWIKZLN-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.22
Rot. Bonds3

About (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate

(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate (PubChem CID 59476828) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate
PubChem CID59476828
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate
SMILESC=CC1(OC(=O)C(=C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16O2/c1-4-19(21-18(20)13(2)3)16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h4-12H,1-2H2,3H3
InChIKeyZIMKGQDHWIKZLN-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate?
The IUPAC name of (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate (CID 59476828) is (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate?
The canonical SMILES for (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate is C=CC1(OC(=O)C(=C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate?
The InChIKey is ZIMKGQDHWIKZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-4-19(21-18(20)13(2)3)16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h4-12H,1-2H2,3H3.
What are the key properties of (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate?
(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate has a molecular weight of 276.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethenylfluoren-9-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 59476828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).