(Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile

C9H10N2O3 — CID 11644073

IUPAC(Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile
SMILESC[C@@H](/C=C\C#N)ON1C(=O)CCC1=O
InChIInChI=1S/C9H10N2O3/c1-7(3-2-6-10)14-11-8(12)4-5-9(11)13/h2-3,7H,4-5H2,1H3/b3-2-/t7-/m0/s1
InChIKeyJVTXOINSIRKCTO-XDVGHUOJSA-N
MW194.19 g/mol
LogP0.54
Rot. Bonds3

About (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile

(Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile (PubChem CID 11644073) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile.

Molecular Properties

Compound Name(Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile
PubChem CID11644073
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile
SMILESC[C@@H](/C=C\C#N)ON1C(=O)CCC1=O
InChIInChI=1S/C9H10N2O3/c1-7(3-2-6-10)14-11-8(12)4-5-9(11)13/h2-3,7H,4-5H2,1H3/b3-2-/t7-/m0/s1
InChIKeyJVTXOINSIRKCTO-XDVGHUOJSA-N
XLogP0.54
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile?
The IUPAC name of (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile (CID 11644073) is (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile.
What is the SMILES notation for (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile?
The canonical SMILES for (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile is C[C@@H](/C=C\C#N)ON1C(=O)CCC1=O.
What is the InChIKey of (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile?
The InChIKey is JVTXOINSIRKCTO-XDVGHUOJSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-7(3-2-6-10)14-11-8(12)4-5-9(11)13/h2-3,7H,4-5H2,1H3/b3-2-/t7-/m0/s1.
What are the key properties of (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile?
(Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile has a molecular weight of 194.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-(2,5-dioxopyrrolidin-1-yl)oxypent-2-enenitrile is sourced from PubChem (CID 11644073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).