(E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid

C17H13NO4 — CID 6046942

IUPAC(E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)Nc1ccc2c(c1)Cc1cc(O)ccc1-2
InChIInChI=1S/C17H13NO4/c19-13-2-4-15-11(9-13)7-10-8-12(1-3-14(10)15)18-16(20)5-6-17(21)22/h1-6,8-9,19H,7H2,(H,18,20)(H,21,22)/b6-5+
InChIKeyWMZHOFCYUCOMRT-AATRIKPKSA-N
MW295.29 g/mol
LogP2.54
Rot. Bonds3

About (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid

(E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid (PubChem CID 6046942) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid
PubChem CID6046942
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name(E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)Nc1ccc2c(c1)Cc1cc(O)ccc1-2
InChIInChI=1S/C17H13NO4/c19-13-2-4-15-11(9-13)7-10-8-12(1-3-14(10)15)18-16(20)5-6-17(21)22/h1-6,8-9,19H,7H2,(H,18,20)(H,21,22)/b6-5+
InChIKeyWMZHOFCYUCOMRT-AATRIKPKSA-N
XLogP2.54
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid (CID 6046942) is (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid is O=C(O)/C=C/C(=O)Nc1ccc2c(c1)Cc1cc(O)ccc1-2.
What is the InChIKey of (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid?
The InChIKey is WMZHOFCYUCOMRT-AATRIKPKSA-N. The full InChI is InChI=1S/C17H13NO4/c19-13-2-4-15-11(9-13)7-10-8-12(1-3-14(10)15)18-16(20)5-6-17(21)22/h1-6,8-9,19H,7H2,(H,18,20)(H,21,22)/b6-5+.
What are the key properties of (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid?
(E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid has a molecular weight of 295.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(7-hydroxy-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 6046942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).