1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one

C17H16N4O3 — CID 14834212

IUPAC1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(C/C=C/c2ccccc2[N+](=O)[O-])CCN1c1ccncc1
InChIInChI=1S/C17H16N4O3/c22-17-19(12-13-20(17)15-7-9-18-10-8-15)11-3-5-14-4-1-2-6-16(14)21(23)24/h1-10H,11-13H2/b5-3+
InChIKeyPMDPLXQTXKCQKG-HWKANZROSA-N
MW324.34 g/mol
LogP2.95
Rot. Bonds5

About 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one

1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 14834212) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID14834212
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(C/C=C/c2ccccc2[N+](=O)[O-])CCN1c1ccncc1
InChIInChI=1S/C17H16N4O3/c22-17-19(12-13-20(17)15-7-9-18-10-8-15)11-3-5-14-4-1-2-6-16(14)21(23)24/h1-10H,11-13H2/b5-3+
InChIKeyPMDPLXQTXKCQKG-HWKANZROSA-N
XLogP2.95
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one
CID 19837250
1-(1-methylpyrazol-4-yl)-4-[3-(2-nitrophenyl)prop-2-enyl]piperazin-2-one
CID 126826964
2-[(E)-3-(2-nitrophenyl)prop-2-enyl]isoindole-1,3-dione
CID 15736812
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
1-[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 91943814
[3-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120781054
1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol
CID 2845971
1-[4-[4-[3-(2-nitrophenyl)prop-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 1376392
(2S)-2-ethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
CID 757332
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid
CID 122040340
N,N-dimethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1-carboxamide
CID 75514792

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one (CID 14834212) is 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one is O=C1N(C/C=C/c2ccccc2[N+](=O)[O-])CCN1c1ccncc1.
What is the InChIKey of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is PMDPLXQTXKCQKG-HWKANZROSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17-19(12-13-20(17)15-7-9-18-10-8-15)11-3-5-14-4-1-2-6-16(14)21(23)24/h1-10H,11-13H2/b5-3+.
What are the key properties of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 324.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 14834212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).