6-(phenacylamino)chromen-2-one

C17H13NO3 — CID 155518144

IUPAC6-(phenacylamino)chromen-2-one
SMILESO=C(CNc1ccc2oc(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-15(12-4-2-1-3-5-12)11-18-14-7-8-16-13(10-14)6-9-17(20)21-16/h1-10,18H,11H2
InChIKeyNPIBXWJMYNWBHM-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.09
Rot. Bonds4

About 6-(phenacylamino)chromen-2-one

6-(phenacylamino)chromen-2-one (PubChem CID 155518144) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(phenacylamino)chromen-2-one.

Molecular Properties

Compound Name6-(phenacylamino)chromen-2-one
PubChem CID155518144
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name6-(phenacylamino)chromen-2-one
SMILESO=C(CNc1ccc2oc(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-15(12-4-2-1-3-5-12)11-18-14-7-8-16-13(10-14)6-9-17(20)21-16/h1-10,18H,11H2
InChIKeyNPIBXWJMYNWBHM-UHFFFAOYSA-N
XLogP3.09
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.09
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 6-(phenacylamino)chromen-2-one?
The IUPAC name of 6-(phenacylamino)chromen-2-one (CID 155518144) is 6-(phenacylamino)chromen-2-one.
What is the SMILES notation for 6-(phenacylamino)chromen-2-one?
The canonical SMILES for 6-(phenacylamino)chromen-2-one is O=C(CNc1ccc2oc(=O)ccc2c1)c1ccccc1.
What is the InChIKey of 6-(phenacylamino)chromen-2-one?
The InChIKey is NPIBXWJMYNWBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15(12-4-2-1-3-5-12)11-18-14-7-8-16-13(10-14)6-9-17(20)21-16/h1-10,18H,11H2.
What are the key properties of 6-(phenacylamino)chromen-2-one?
6-(phenacylamino)chromen-2-one has a molecular weight of 279.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenacylamino)chromen-2-one is sourced from PubChem (CID 155518144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).