N-(2-oxochromen-3-yl)prop-2-enamide

C12H9NO3 — CID 91937746

IUPACN-(2-oxochromen-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C12H9NO3/c1-2-11(14)13-9-7-8-5-3-4-6-10(8)16-12(9)15/h2-7H,1H2,(H,13,14)
InChIKeyOLVMBBCCJJVATF-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.92
Rot. Bonds2

About N-(2-oxochromen-3-yl)prop-2-enamide

N-(2-oxochromen-3-yl)prop-2-enamide (PubChem CID 91937746) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is N-(2-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxochromen-3-yl)prop-2-enamide
PubChem CID91937746
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC NameN-(2-oxochromen-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc2ccccc2oc1=O
InChIInChI=1S/C12H9NO3/c1-2-11(14)13-9-7-8-5-3-4-6-10(8)16-12(9)15/h2-7H,1H2,(H,13,14)
InChIKeyOLVMBBCCJJVATF-UHFFFAOYSA-N
XLogP1.92
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
CID 6057611
3-(prop-2-enylamino)chromen-2-one
CID 87617831
3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
CID 5082597
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(2-oxochromen-3-yl)urea
CID 44623778
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638
N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide
CID 91937747
2-[(2-oxochromen-3-yl)amino]oxyacetic acid
CID 88789261
chromen-2-one;N-methylprop-2-enamide
CID 175576112
2-[[(Z)-3-(2-oxochromen-3-yl)but-2-enoyl]amino]benzoic acid
CID 22724800
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
2-oxochromene-3-carboxylic acid
CID 161011590
N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805133

Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of N-(2-oxochromen-3-yl)prop-2-enamide (CID 91937746) is N-(2-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for N-(2-oxochromen-3-yl)prop-2-enamide is C=CC(=O)Nc1cc2ccccc2oc1=O.
What is the InChIKey of N-(2-oxochromen-3-yl)prop-2-enamide?
The InChIKey is OLVMBBCCJJVATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c1-2-11(14)13-9-7-8-5-3-4-6-10(8)16-12(9)15/h2-7H,1H2,(H,13,14).
What are the key properties of N-(2-oxochromen-3-yl)prop-2-enamide?
N-(2-oxochromen-3-yl)prop-2-enamide has a molecular weight of 215.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 91937746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).