4-amino-3-phenylchromen-2-one

C15H11NO2 — CID 617040

IUPAC4-amino-3-phenylchromen-2-one
SMILESNc1c(-c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C15H11NO2/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9H,16H2
InChIKeyNVHGQWZMRWAHNJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.04
Rot. Bonds1

About 4-amino-3-phenylchromen-2-one

4-amino-3-phenylchromen-2-one (PubChem CID 617040) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-amino-3-phenylchromen-2-one.

Molecular Properties

Compound Name4-amino-3-phenylchromen-2-one
PubChem CID617040
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name4-amino-3-phenylchromen-2-one
SMILESNc1c(-c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C15H11NO2/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9H,16H2
InChIKeyNVHGQWZMRWAHNJ-UHFFFAOYSA-N
XLogP3.04
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
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-amino-3-phenylchromen-2-one?
The IUPAC name of 4-amino-3-phenylchromen-2-one (CID 617040) is 4-amino-3-phenylchromen-2-one.
What is the SMILES notation for 4-amino-3-phenylchromen-2-one?
The canonical SMILES for 4-amino-3-phenylchromen-2-one is Nc1c(-c2ccccc2)c(=O)oc2ccccc12.
What is the InChIKey of 4-amino-3-phenylchromen-2-one?
The InChIKey is NVHGQWZMRWAHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9H,16H2.
What are the key properties of 4-amino-3-phenylchromen-2-one?
4-amino-3-phenylchromen-2-one has a molecular weight of 237.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-phenylchromen-2-one is sourced from PubChem (CID 617040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).