4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide

C17H18N2O4 — CID 2346191

IUPAC4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H18N2O4/c20-13-11-15(23-14-6-2-1-5-12(13)14)17(22)18-8-4-10-19-9-3-7-16(19)21/h1-2,5-6,11H,3-4,7-10H2,(H,18,22)
InChIKeyZFTWTLCJCRHZQN-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.54
Rot. Bonds5

About 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide

4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide (PubChem CID 2346191) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide
PubChem CID2346191
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H18N2O4/c20-13-11-15(23-14-6-2-1-5-12(13)14)17(22)18-8-4-10-19-9-3-7-16(19)21/h1-2,5-6,11H,3-4,7-10H2,(H,18,22)
InChIKeyZFTWTLCJCRHZQN-UHFFFAOYSA-N
XLogP1.54
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide (CID 2346191) is 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide is O=C(NCCCN1CCCC1=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide?
The InChIKey is ZFTWTLCJCRHZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-13-11-15(23-14-6-2-1-5-12(13)14)17(22)18-8-4-10-19-9-3-7-16(19)21/h1-2,5-6,11H,3-4,7-10H2,(H,18,22).
What are the key properties of 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide?
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide is sourced from PubChem (CID 2346191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).