4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid

C20H16O4 — CID 4893327

IUPAC4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid
SMILESCC(=CC(=O)O)C(=Cc1ccc2c(c1)-c1ccccc1C2)C(=O)O
InChIInChI=1S/C20H16O4/c1-12(8-19(21)22)17(20(23)24)9-13-6-7-15-11-14-4-2-3-5-16(14)18(15)10-13/h2-10H,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyKCKXDANAFKGKPM-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.76
Rot. Bonds4

About 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid

4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid (PubChem CID 4893327) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid.

Molecular Properties

Compound Name4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid
PubChem CID4893327
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid
SMILESCC(=CC(=O)O)C(=Cc1ccc2c(c1)-c1ccccc1C2)C(=O)O
InChIInChI=1S/C20H16O4/c1-12(8-19(21)22)17(20(23)24)9-13-6-7-15-11-14-4-2-3-5-16(14)18(15)10-13/h2-10H,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyKCKXDANAFKGKPM-UHFFFAOYSA-N
XLogP3.76
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,4Z)-3-methyl-4-(pyridin-4-ylmethylidene)pent-2-enedioic acid
CID 2249506
3-[(Z)-prop-1-enyl]-9H-fluorene
CID 173081579
acetic acid;azane;9H-fluorene
CID 174966259
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
9H-fluorene-2-carbaldehyde;N-methylhydroxylamine
CID 156719252
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
9H-fluorene;2-methyl-4-(oxiran-2-yl)but-2-enoic acid
CID 175383230
(Z)-2-acetamido-N-(9H-fluoren-3-yl)-3-phenylprop-2-enamide
CID 9378259
ethyl (2E)-2-(9H-fluoren-2-ylmethylidene)butanoate
CID 124637634
4-(9H-fluoren-2-ylmethylideneamino)benzoic acid
CID 176718188
2-(9H-fluoren-2-ylmethylidene)propanedinitrile
CID 134159255

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid?
The IUPAC name of 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid (CID 4893327) is 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid.
What is the SMILES notation for 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid?
The canonical SMILES for 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid is CC(=CC(=O)O)C(=Cc1ccc2c(c1)-c1ccccc1C2)C(=O)O.
What is the InChIKey of 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid?
The InChIKey is KCKXDANAFKGKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-12(8-19(21)22)17(20(23)24)9-13-6-7-15-11-14-4-2-3-5-16(14)18(15)10-13/h2-10H,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid?
4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid has a molecular weight of 320.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-3-ylmethylidene)-3-methylpent-2-enedioic acid is sourced from PubChem (CID 4893327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).