N-(2-aminoethyl)-2-oxochromene-3-carboxamide

C12H12N2O3 — CID 10657190

IUPACN-(2-aminoethyl)-2-oxochromene-3-carboxamide
SMILESNCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C12H12N2O3/c13-5-6-14-11(15)9-7-8-3-1-2-4-10(8)17-12(9)16/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyZZZHRZHNTZJEMF-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.48
Rot. Bonds3

About N-(2-aminoethyl)-2-oxochromene-3-carboxamide

N-(2-aminoethyl)-2-oxochromene-3-carboxamide (PubChem CID 10657190) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-oxochromene-3-carboxamide
PubChem CID10657190
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(2-aminoethyl)-2-oxochromene-3-carboxamide
SMILESNCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C12H12N2O3/c13-5-6-14-11(15)9-7-8-3-1-2-4-10(8)17-12(9)16/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyZZZHRZHNTZJEMF-UHFFFAOYSA-N
XLogP0.48
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-oxochromene-3-carboxamide (CID 10657190) is N-(2-aminoethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-oxochromene-3-carboxamide is NCCNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2-aminoethyl)-2-oxochromene-3-carboxamide?
The InChIKey is ZZZHRZHNTZJEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-5-6-14-11(15)9-7-8-3-1-2-4-10(8)17-12(9)16/h1-4,7H,5-6,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-oxochromene-3-carboxamide?
N-(2-aminoethyl)-2-oxochromene-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 10657190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).