amino formate;3-phenylchromen-4-one

C16H13NO4 — CID 174767747

IUPACamino formate;3-phenylchromen-4-one
SMILESNOC=O.O=c1c(-c2ccccc2)coc2ccccc12
InChIInChI=1S/C15H10O2.CH3NO2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;2-4-1-3/h1-10H;1H,2H2
InChIKeyWOIJVHVUKIEAPS-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.49
Rot. Bonds2

About amino formate;3-phenylchromen-4-one

amino formate;3-phenylchromen-4-one (PubChem CID 174767747) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is amino formate;3-phenylchromen-4-one.

Molecular Properties

Compound Nameamino formate;3-phenylchromen-4-one
PubChem CID174767747
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Nameamino formate;3-phenylchromen-4-one
SMILESNOC=O.O=c1c(-c2ccccc2)coc2ccccc12
InChIInChI=1S/C15H10O2.CH3NO2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;2-4-1-3/h1-10H;1H,2H2
InChIKeyWOIJVHVUKIEAPS-UHFFFAOYSA-N
XLogP2.49
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino formate;3-phenylchromen-4-one?
The IUPAC name of amino formate;3-phenylchromen-4-one (CID 174767747) is amino formate;3-phenylchromen-4-one.
What is the SMILES notation for amino formate;3-phenylchromen-4-one?
The canonical SMILES for amino formate;3-phenylchromen-4-one is NOC=O.O=c1c(-c2ccccc2)coc2ccccc12.
What is the InChIKey of amino formate;3-phenylchromen-4-one?
The InChIKey is WOIJVHVUKIEAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2.CH3NO2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;2-4-1-3/h1-10H;1H,2H2.
What are the key properties of amino formate;3-phenylchromen-4-one?
amino formate;3-phenylchromen-4-one has a molecular weight of 283.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino formate;3-phenylchromen-4-one is sourced from PubChem (CID 174767747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).