7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one

C17H15NO3 — CID 8689099

IUPAC7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one
SMILESCN(Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-18(13-5-3-2-4-6-13)11-12-9-17(20)21-16-10-14(19)7-8-15(12)16/h2-10,19H,11H2,1H3
InChIKeyUBBDGLRLAMXHQK-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.13
Rot. Bonds3

About 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one

7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one (PubChem CID 8689099) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one
PubChem CID8689099
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one
SMILESCN(Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-18(13-5-3-2-4-6-13)11-12-9-17(20)21-16-10-14(19)7-8-15(12)16/h2-10,19H,11H2,1H3
InChIKeyUBBDGLRLAMXHQK-UHFFFAOYSA-N
XLogP3.13
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
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 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one?
The IUPAC name of 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one (CID 8689099) is 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one is CN(Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1.
What is the InChIKey of 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one?
The InChIKey is UBBDGLRLAMXHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18(13-5-3-2-4-6-13)11-12-9-17(20)21-16-10-14(19)7-8-15(12)16/h2-10,19H,11H2,1H3.
What are the key properties of 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one?
7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[(N-methylanilino)methyl]chromen-2-one is sourced from PubChem (CID 8689099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).