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

C15H17N3O2 — CID 10125368

IUPAC1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one
SMILESC#CCO/N=C(/CCN1CCCC1=O)c1cccnc1
InChIInChI=1S/C15H17N3O2/c1-2-11-20-17-14(13-5-3-8-16-12-13)7-10-18-9-4-6-15(18)19/h1,3,5,8,12H,4,6-7,9-11H2/b17-14-
InChIKeyLKXFBFCKXFQUKW-VKAVYKQESA-N
MW271.32 g/mol
LogP1.45
Rot. Bonds6

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

1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one (PubChem CID 10125368) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one
PubChem CID10125368
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one
SMILESC#CCO/N=C(/CCN1CCCC1=O)c1cccnc1
InChIInChI=1S/C15H17N3O2/c1-2-11-20-17-14(13-5-3-8-16-12-13)7-10-18-9-4-6-15(18)19/h1,3,5,8,12H,4,6-7,9-11H2/b17-14-
InChIKeyLKXFBFCKXFQUKW-VKAVYKQESA-N
XLogP1.45
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 ≤ 51.45
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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Related Compounds

1-[(2E)-2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one
CID 10171561
1-(2-pyridin-3-ylprop-2-enyl)pyrrolidin-2-one
CID 22733091
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
1-(pyridine-3-carbonyl)piperidin-2-one
CID 18935202
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
1-[(3Z)-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylmethoxyiminopropyl]pyrrolidin-2-one
CID 10125931
1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one
CID 74236287
1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one
CID 134700180
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2-oxopyrrolidin-1-yl)propanamide
CID 118023676
N-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;dihydrochloride
CID 73462266
N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
CID 87475486
1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one
CID 174401992

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one (CID 10125368) is 1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one is C#CCO/N=C(/CCN1CCCC1=O)c1cccnc1.
What is the InChIKey of 1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one?
The InChIKey is LKXFBFCKXFQUKW-VKAVYKQESA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-11-20-17-14(13-5-3-8-16-12-13)7-10-18-9-4-6-15(18)19/h1,3,5,8,12H,4,6-7,9-11H2/b17-14-.
What are the key properties of 1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one?
1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-prop-2-ynoxyimino-3-pyridin-3-ylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 10125368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).