N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide

C12H9NO4 — CID 91937747

IUPACN-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C12H9NO4/c1-2-9(14)13-10-11(15)7-5-3-4-6-8(7)17-12(10)16/h2-6,15H,1H2,(H,13,14)
InChIKeyBDBIVFHRDBXBPL-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.62
Rot. Bonds2

About N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide

N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide (PubChem CID 91937747) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide
PubChem CID91937747
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC NameN-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C12H9NO4/c1-2-9(14)13-10-11(15)7-5-3-4-6-8(7)17-12(10)16/h2-6,15H,1H2,(H,13,14)
InChIKeyBDBIVFHRDBXBPL-UHFFFAOYSA-N
XLogP1.62
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide (CID 91937747) is N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide is C=CC(=O)Nc1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide?
The InChIKey is BDBIVFHRDBXBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c1-2-9(14)13-10-11(15)7-5-3-4-6-8(7)17-12(10)16/h2-6,15H,1H2,(H,13,14).
What are the key properties of N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide?
N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide has a molecular weight of 231.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 91937747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).