4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium

C16H19N2O4UV- — CID 59769719

IUPAC4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium
SMILESO=C(O)c1ccc(CCN2C(=O)CCN2C/C=C\[CH-]O)cc1.[U].[V]
InChIInChI=1S/C16H19N2O4.U.V/c19-12-2-1-9-17-10-8-15(20)18(17)11-7-13-3-5-14(6-4-13)16(21)22;;/h1-6,12,19H,7-11H2,(H,21,22);;/q-1;;/b2-1-;;
InChIKeyUKAXKBDYHYHJNJ-UAIGNFCESA-N
MW592.31 g/mol
LogP1.46
Rot. Bonds7

About 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium

4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium (PubChem CID 59769719) has the molecular formula C16H19N2O4UV- and a molecular weight of 592.31 g/mol. Its IUPAC name is 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium.

Molecular Properties

Compound Name4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium
PubChem CID59769719
Molecular FormulaC16H19N2O4UV-
Molecular Weight592.31 g/mol
Exact Mass592.13
IUPAC Name4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium
SMILESO=C(O)c1ccc(CCN2C(=O)CCN2C/C=C\[CH-]O)cc1.[U].[V]
InChIInChI=1S/C16H19N2O4.U.V/c19-12-2-1-9-17-10-8-15(20)18(17)11-7-13-3-5-14(6-4-13)16(21)22;;/h1-6,12,19H,7-11H2,(H,21,22);;/q-1;;/b2-1-;;
InChIKeyUKAXKBDYHYHJNJ-UAIGNFCESA-N
XLogP1.46
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium?
The IUPAC name of 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium (CID 59769719) is 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium.
What is the SMILES notation for 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium?
The canonical SMILES for 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium is O=C(O)c1ccc(CCN2C(=O)CCN2C/C=C\[CH-]O)cc1.[U].[V].
What is the InChIKey of 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium?
The InChIKey is UKAXKBDYHYHJNJ-UAIGNFCESA-N. The full InChI is InChI=1S/C16H19N2O4.U.V/c19-12-2-1-9-17-10-8-15(20)18(17)11-7-13-3-5-14(6-4-13)16(21)22;;/h1-6,12,19H,7-11H2,(H,21,22);;/q-1;;/b2-1-;;.
What are the key properties of 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium?
4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium has a molecular weight of 592.31 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(Z)-4-hydroxybut-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid;uranium;vanadium is sourced from PubChem (CID 59769719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).