2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

C15H15NO4 — CID 2840018

IUPAC2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H15NO4/c17-14(16-9-11-5-3-7-19-11)12-8-10-4-1-2-6-13(10)20-15(12)18/h1-2,4,6,8,11H,3,5,7,9H2,(H,16,17)
InChIKeySACDNEBEKMMKFA-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.70
Rot. Bonds3

About 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 2840018) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
PubChem CID2840018
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H15NO4/c17-14(16-9-11-5-3-7-19-11)12-8-10-4-1-2-6-13(10)20-15(12)18/h1-2,4,6,8,11H,3,5,7,9H2,(H,16,17)
InChIKeySACDNEBEKMMKFA-UHFFFAOYSA-N
XLogP1.70
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 2840018) is 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is O=C(NCC1CCCO1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is SACDNEBEKMMKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-14(16-9-11-5-3-7-19-11)12-8-10-4-1-2-6-13(10)20-15(12)18/h1-2,4,6,8,11H,3,5,7,9H2,(H,16,17).
What are the key properties of 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 2840018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).