4-[(N-ethylanilino)methyl]-7-methylchromen-2-one

C19H19NO2 — CID 6462220

IUPAC4-[(N-ethylanilino)methyl]-7-methylchromen-2-one
SMILESCCN(Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-20(16-7-5-4-6-8-16)13-15-12-19(21)22-18-11-14(2)9-10-17(15)18/h4-12H,3,13H2,1-2H3
InChIKeyFYSWUCHUNMLNPU-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.13
Rot. Bonds4

About 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one

4-[(N-ethylanilino)methyl]-7-methylchromen-2-one (PubChem CID 6462220) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one.

Molecular Properties

Compound Name4-[(N-ethylanilino)methyl]-7-methylchromen-2-one
PubChem CID6462220
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-[(N-ethylanilino)methyl]-7-methylchromen-2-one
SMILESCCN(Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-20(16-7-5-4-6-8-16)13-15-12-19(21)22-18-11-14(2)9-10-17(15)18/h4-12H,3,13H2,1-2H3
InChIKeyFYSWUCHUNMLNPU-UHFFFAOYSA-N
XLogP4.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one?
The IUPAC name of 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one (CID 6462220) is 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one.
What is the SMILES notation for 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one?
The canonical SMILES for 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one is CCN(Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1.
What is the InChIKey of 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one?
The InChIKey is FYSWUCHUNMLNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-20(16-7-5-4-6-8-16)13-15-12-19(21)22-18-11-14(2)9-10-17(15)18/h4-12H,3,13H2,1-2H3.
What are the key properties of 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one?
4-[(N-ethylanilino)methyl]-7-methylchromen-2-one has a molecular weight of 293.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethylanilino)methyl]-7-methylchromen-2-one is sourced from PubChem (CID 6462220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).