2-oxo-N-propan-2-ylchromene-3-carboxamide

C13H13NO3 — CID 682187

IUPAC2-oxo-N-propan-2-ylchromene-3-carboxamide
SMILESCC(C)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H13NO3/c1-8(2)14-12(15)10-7-9-5-3-4-6-11(9)17-13(10)16/h3-8H,1-2H3,(H,14,15)
InChIKeyDYFRHCOMCPYXPQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.93
Rot. Bonds2

About 2-oxo-N-propan-2-ylchromene-3-carboxamide

2-oxo-N-propan-2-ylchromene-3-carboxamide (PubChem CID 682187) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-oxo-N-propan-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-ylchromene-3-carboxamide
PubChem CID682187
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-oxo-N-propan-2-ylchromene-3-carboxamide
SMILESCC(C)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H13NO3/c1-8(2)14-12(15)10-7-9-5-3-4-6-11(9)17-13(10)16/h3-8H,1-2H3,(H,14,15)
InChIKeyDYFRHCOMCPYXPQ-UHFFFAOYSA-N
XLogP1.93
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-ylchromene-3-carboxamide?
The IUPAC name of 2-oxo-N-propan-2-ylchromene-3-carboxamide (CID 682187) is 2-oxo-N-propan-2-ylchromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-propan-2-ylchromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-propan-2-ylchromene-3-carboxamide is CC(C)NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-propan-2-ylchromene-3-carboxamide?
The InChIKey is DYFRHCOMCPYXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8(2)14-12(15)10-7-9-5-3-4-6-11(9)17-13(10)16/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-oxo-N-propan-2-ylchromene-3-carboxamide?
2-oxo-N-propan-2-ylchromene-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-ylchromene-3-carboxamide is sourced from PubChem (CID 682187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).