3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide

C12H11NO3 — CID 169482398

IUPAC3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C12H11NO3/c13-12(15)4-2-8-1-3-11-9(7-8)10(14)5-6-16-11/h1-4,7H,5-6H2,(H2,13,15)
InChIKeyVAYXOWLLPBZMBO-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.15
Rot. Bonds2

About 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide

3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide (PubChem CID 169482398) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide
PubChem CID169482398
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C12H11NO3/c13-12(15)4-2-8-1-3-11-9(7-8)10(14)5-6-16-11/h1-4,7H,5-6H2,(H2,13,15)
InChIKeyVAYXOWLLPBZMBO-UHFFFAOYSA-N
XLogP1.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 169481919
4-(4-oxo-2,3-dihydrochromen-6-yl)but-3-enal
CID 170482549
6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one
CID 169476137
N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
CID 169466156
N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide
CID 123869348
6-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 57099381
6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one
CID 155211404
6-iodo-2,3-dihydrochromen-4-one
CID 3580262
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 150818824

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide?
The IUPAC name of 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide (CID 169482398) is 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide?
The canonical SMILES for 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide is NC(=O)C=Cc1ccc2c(c1)C(=O)CCO2.
What is the InChIKey of 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide?
The InChIKey is VAYXOWLLPBZMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c13-12(15)4-2-8-1-3-11-9(7-8)10(14)5-6-16-11/h1-4,7H,5-6H2,(H2,13,15).
What are the key properties of 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide?
3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide has a molecular weight of 217.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide is sourced from PubChem (CID 169482398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).