2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate

C21H18O3 — CID 174390717

IUPAC2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H18O3/c1-13(2)20(22)24-21(23)14(3)12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-12,19H,1H2,2-3H3
InChIKeyMBDJWZOMNYGNNQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.39
Rot. Bonds3

About 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate

2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate (PubChem CID 174390717) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
PubChem CID174390717
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H18O3/c1-13(2)20(22)24-21(23)14(3)12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-12,19H,1H2,2-3H3
InChIKeyMBDJWZOMNYGNNQ-UHFFFAOYSA-N
XLogP4.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
CID 175546905
2-methylprop-2-enoyl 2-methyl-3-(1H-phenalen-1-yl)prop-2-enoate
CID 174432101
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid
CID 175370166
1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid
CID 123912844
2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate
CID 174495594
(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476828
methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate
CID 54310352
biphenylene;2-methylprop-2-enoic acid
CID 174864090
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
9H-fluorene-9-carbaldehyde
CID 11074281
bis(2-methylprop-2-enoyl) (Z)-but-2-enedioate;styrene
CID 87485822

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate (CID 174390717) is 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)C(C)=CC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate?
The InChIKey is MBDJWZOMNYGNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-13(2)20(22)24-21(23)14(3)12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-12,19H,1H2,2-3H3.
What are the key properties of 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate?
2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate has a molecular weight of 318.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 174390717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).