1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one

C15H17N3O2 — CID 10171561

IUPAC1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one
SMILESC#CCO/N=C(\Cc1cccnc1)CN1CCCC1=O
InChIInChI=1S/C15H17N3O2/c1-2-9-20-17-14(10-13-5-3-7-16-11-13)12-18-8-4-6-15(18)19/h1,3,5,7,11H,4,6,8-10,12H2/b17-14+
InChIKeyLAUZIZCBQTWXGU-SAPNQHFASA-N
MW271.32 g/mol
LogP1.25
Rot. Bonds6

About 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one

1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one (PubChem CID 10171561) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one
PubChem CID10171561
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one
SMILESC#CCO/N=C(\Cc1cccnc1)CN1CCCC1=O
InChIInChI=1S/C15H17N3O2/c1-2-9-20-17-14(10-13-5-3-7-16-11-13)12-18-8-4-6-15(18)19/h1,3,5,7,11H,4,6,8-10,12H2/b17-14+
InChIKeyLAUZIZCBQTWXGU-SAPNQHFASA-N
XLogP1.25
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one (CID 10171561) is 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one is C#CCO/N=C(\Cc1cccnc1)CN1CCCC1=O.
What is the InChIKey of 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one?
The InChIKey is LAUZIZCBQTWXGU-SAPNQHFASA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-9-20-17-14(10-13-5-3-7-16-11-13)12-18-8-4-6-15(18)19/h1,3,5,7,11H,4,6,8-10,12H2/b17-14+.
What are the key properties of 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one?
1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 10171561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).