chromen-2-one;N-methylprop-2-enamide

C13H13NO3 — CID 175576112

IUPACchromen-2-one;N-methylprop-2-enamide
SMILESC=CC(=O)NC.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C4H7NO/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-4(6)5-2/h1-6H;3H,1H2,2H3,(H,5,6)
InChIKeyWHOOAKCKVCYBKF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.71
Rot. Bonds1

About chromen-2-one;N-methylprop-2-enamide

chromen-2-one;N-methylprop-2-enamide (PubChem CID 175576112) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is chromen-2-one;N-methylprop-2-enamide.

Molecular Properties

Compound Namechromen-2-one;N-methylprop-2-enamide
PubChem CID175576112
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namechromen-2-one;N-methylprop-2-enamide
SMILESC=CC(=O)NC.O=c1ccc2ccccc2o1
InChIInChI=1S/C9H6O2.C4H7NO/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-4(6)5-2/h1-6H;3H,1H2,2H3,(H,5,6)
InChIKeyWHOOAKCKVCYBKF-UHFFFAOYSA-N
XLogP1.71
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.71
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

chromen-2-one;bis(prop-2-enoic acid)
CID 175490612
chromen-2-one;copper
CID 175033656
chromen-2-one;1,4-dioxine
CID 175414540
CID 175559318
CID 175559318
chromen-2-one;methanamine;[4-(methylamino)-4-oxobutyl] dihydrogen phosphate
CID 160842200
N-(2-oxochromen-3-yl)prop-2-enamide
CID 91937746
CID 155018405
CID 155018405
chromen-2-one;tetradecanoic acid
CID 175211555
chromen-2-one;undecan-2-one
CID 163846600
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
chromen-2-one;quinoxaline
CID 174951370
chromen-2-one;3-methylfuran
CID 174615885

Frequently Asked Questions

What is the IUPAC name of chromen-2-one;N-methylprop-2-enamide?
The IUPAC name of chromen-2-one;N-methylprop-2-enamide (CID 175576112) is chromen-2-one;N-methylprop-2-enamide.
What is the SMILES notation for chromen-2-one;N-methylprop-2-enamide?
The canonical SMILES for chromen-2-one;N-methylprop-2-enamide is C=CC(=O)NC.O=c1ccc2ccccc2o1.
What is the InChIKey of chromen-2-one;N-methylprop-2-enamide?
The InChIKey is WHOOAKCKVCYBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C4H7NO/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-4(6)5-2/h1-6H;3H,1H2,2H3,(H,5,6).
What are the key properties of chromen-2-one;N-methylprop-2-enamide?
chromen-2-one;N-methylprop-2-enamide has a molecular weight of 231.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-2-one;N-methylprop-2-enamide is sourced from PubChem (CID 175576112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).