3-(prop-2-enylamino)chromen-2-one

C12H11NO2 — CID 87617831

IUPAC3-(prop-2-enylamino)chromen-2-one
SMILESC=CCNc1cc2ccccc2oc1=O
InChIInChI=1S/C12H11NO2/c1-2-7-13-10-8-9-5-3-4-6-11(9)15-12(10)14/h2-6,8,13H,1,7H2
InChIKeyJYRPQEVXCZFKJE-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.39
Rot. Bonds3

About 3-(prop-2-enylamino)chromen-2-one

3-(prop-2-enylamino)chromen-2-one (PubChem CID 87617831) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(prop-2-enylamino)chromen-2-one.

Molecular Properties

Compound Name3-(prop-2-enylamino)chromen-2-one
PubChem CID87617831
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-(prop-2-enylamino)chromen-2-one
SMILESC=CCNc1cc2ccccc2oc1=O
InChIInChI=1S/C12H11NO2/c1-2-7-13-10-8-9-5-3-4-6-11(9)15-12(10)14/h2-6,8,13H,1,7H2
InChIKeyJYRPQEVXCZFKJE-UHFFFAOYSA-N
XLogP2.39
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.39
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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Related Compounds

3-(butylamino)chromen-2-one
CID 154352647
N-(2-oxochromen-3-yl)prop-2-enamide
CID 91937746
6-methyl-7-(prop-2-enylamino)chromen-2-one
CID 56933756
2-[(2-oxochromen-3-yl)amino]oxyacetic acid
CID 88789261
1-[1-(2-oxochromen-3-yl)ethylideneamino]-3-prop-2-enylthiourea
CID 78618345
2-ethenyl-1-benzofuran
CID 588974
3-(hydroxymethyl)chromen-2-one
CID 22921481
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(2-oxochromen-3-yl)urea
CID 44623778
3-(2-aminoethylsulfanyl)chromen-2-one
CID 134066932
3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one
CID 132548906
(E)-3-(4-methylphenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
CID 6057611
3-trimethylsilylchromen-2-one
CID 71378789

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylamino)chromen-2-one?
The IUPAC name of 3-(prop-2-enylamino)chromen-2-one (CID 87617831) is 3-(prop-2-enylamino)chromen-2-one.
What is the SMILES notation for 3-(prop-2-enylamino)chromen-2-one?
The canonical SMILES for 3-(prop-2-enylamino)chromen-2-one is C=CCNc1cc2ccccc2oc1=O.
What is the InChIKey of 3-(prop-2-enylamino)chromen-2-one?
The InChIKey is JYRPQEVXCZFKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-7-13-10-8-9-5-3-4-6-11(9)15-12(10)14/h2-6,8,13H,1,7H2.
What are the key properties of 3-(prop-2-enylamino)chromen-2-one?
3-(prop-2-enylamino)chromen-2-one has a molecular weight of 201.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylamino)chromen-2-one is sourced from PubChem (CID 87617831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).