N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide

C19H20N2O3 — CID 7392097

IUPACN-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCCC2)c1
InChIInChI=1S/C19H20N2O3/c1-14-6-4-7-15(12-14)18(22)20-17(13-16-8-5-11-24-16)19(23)21-9-2-3-10-21/h4-8,11-13H,2-3,9-10H2,1H3,(H,20,22)/b17-13-
InChIKeyWUJMCOMZHKWKPI-LGMDPLHJSA-N
MW324.38 g/mol
LogP2.98
Rot. Bonds4

About N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide

N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide (PubChem CID 7392097) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide
PubChem CID7392097
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCCC2)c1
InChIInChI=1S/C19H20N2O3/c1-14-6-4-7-15(12-14)18(22)20-17(13-16-8-5-11-24-16)19(23)21-9-2-3-10-21/h4-8,11-13H,2-3,9-10H2,1H3,(H,20,22)/b17-13-
InChIKeyWUJMCOMZHKWKPI-LGMDPLHJSA-N
XLogP2.98
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide (CID 7392097) is N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCCC2)c1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide?
The InChIKey is WUJMCOMZHKWKPI-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-6-4-7-15(12-14)18(22)20-17(13-16-8-5-11-24-16)19(23)21-9-2-3-10-21/h4-8,11-13H,2-3,9-10H2,1H3,(H,20,22)/b17-13-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide?
N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-methylbenzamide is sourced from PubChem (CID 7392097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).