N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide

C14H13NO3 — CID 763579

IUPACN-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
SMILESC=CCc1cccc2cc(NC(C)=O)c(=O)oc12
InChIInChI=1S/C14H13NO3/c1-3-5-10-6-4-7-11-8-12(15-9(2)16)14(17)18-13(10)11/h3-4,6-8H,1,5H2,2H3,(H,15,16)
InChIKeyMGNHHZWYXRYHRD-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.48
Rot. Bonds3

About N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide

N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide (PubChem CID 763579) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
PubChem CID763579
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC NameN-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
SMILESC=CCc1cccc2cc(NC(C)=O)c(=O)oc12
InChIInChI=1S/C14H13NO3/c1-3-5-10-6-4-7-11-8-12(15-9(2)16)14(17)18-13(10)11/h3-4,6-8H,1,5H2,2H3,(H,15,16)
InChIKeyMGNHHZWYXRYHRD-UHFFFAOYSA-N
XLogP2.48
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide?
The IUPAC name of N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide (CID 763579) is N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide.
What is the SMILES notation for N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide?
The canonical SMILES for N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide is C=CCc1cccc2cc(NC(C)=O)c(=O)oc12.
What is the InChIKey of N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide?
The InChIKey is MGNHHZWYXRYHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-3-5-10-6-4-7-11-8-12(15-9(2)16)14(17)18-13(10)11/h3-4,6-8H,1,5H2,2H3,(H,15,16).
What are the key properties of N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide?
N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide has a molecular weight of 243.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide is sourced from PubChem (CID 763579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).