N-(7-amino-2-oxochromen-6-yl)propanamide

C12H12N2O3 — CID 71611238

IUPACN-(7-amino-2-oxochromen-6-yl)propanamide
SMILESCCC(=O)Nc1cc2ccc(=O)oc2cc1N
InChIInChI=1S/C12H12N2O3/c1-2-11(15)14-9-5-7-3-4-12(16)17-10(7)6-8(9)13/h3-6H,2,13H2,1H3,(H,14,15)
InChIKeyIVXHNZAHBUTYFE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.72
Rot. Bonds2

About N-(7-amino-2-oxochromen-6-yl)propanamide

N-(7-amino-2-oxochromen-6-yl)propanamide (PubChem CID 71611238) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(7-amino-2-oxochromen-6-yl)propanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxochromen-6-yl)propanamide
PubChem CID71611238
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(7-amino-2-oxochromen-6-yl)propanamide
SMILESCCC(=O)Nc1cc2ccc(=O)oc2cc1N
InChIInChI=1S/C12H12N2O3/c1-2-11(15)14-9-5-7-3-4-12(16)17-10(7)6-8(9)13/h3-6H,2,13H2,1H3,(H,14,15)
InChIKeyIVXHNZAHBUTYFE-UHFFFAOYSA-N
XLogP1.72
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxochromen-6-yl)propanamide?
The IUPAC name of N-(7-amino-2-oxochromen-6-yl)propanamide (CID 71611238) is N-(7-amino-2-oxochromen-6-yl)propanamide.
What is the SMILES notation for N-(7-amino-2-oxochromen-6-yl)propanamide?
The canonical SMILES for N-(7-amino-2-oxochromen-6-yl)propanamide is CCC(=O)Nc1cc2ccc(=O)oc2cc1N.
What is the InChIKey of N-(7-amino-2-oxochromen-6-yl)propanamide?
The InChIKey is IVXHNZAHBUTYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-11(15)14-9-5-7-3-4-12(16)17-10(7)6-8(9)13/h3-6H,2,13H2,1H3,(H,14,15).
What are the key properties of N-(7-amino-2-oxochromen-6-yl)propanamide?
N-(7-amino-2-oxochromen-6-yl)propanamide has a molecular weight of 232.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxochromen-6-yl)propanamide is sourced from PubChem (CID 71611238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).