6-(1H-pyrrol-2-yl)chromen-2-one

C13H9NO2 — CID 87691765

IUPAC6-(1H-pyrrol-2-yl)chromen-2-one
SMILESO=c1ccc2cc(-c3ccc[nH]3)ccc2o1
InChIInChI=1S/C13H9NO2/c15-13-6-4-10-8-9(3-5-12(10)16-13)11-2-1-7-14-11/h1-8,14H
InChIKeyPTRQKCDCLZSNLH-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.79
Rot. Bonds1

About 6-(1H-pyrrol-2-yl)chromen-2-one

6-(1H-pyrrol-2-yl)chromen-2-one (PubChem CID 87691765) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(1H-pyrrol-2-yl)chromen-2-one.

Molecular Properties

Compound Name6-(1H-pyrrol-2-yl)chromen-2-one
PubChem CID87691765
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name6-(1H-pyrrol-2-yl)chromen-2-one
SMILESO=c1ccc2cc(-c3ccc[nH]3)ccc2o1
InChIInChI=1S/C13H9NO2/c15-13-6-4-10-8-9(3-5-12(10)16-13)11-2-1-7-14-11/h1-8,14H
InChIKeyPTRQKCDCLZSNLH-UHFFFAOYSA-N
XLogP2.79
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1H-pyrrol-2-yl)chromen-2-one?
The IUPAC name of 6-(1H-pyrrol-2-yl)chromen-2-one (CID 87691765) is 6-(1H-pyrrol-2-yl)chromen-2-one.
What is the SMILES notation for 6-(1H-pyrrol-2-yl)chromen-2-one?
The canonical SMILES for 6-(1H-pyrrol-2-yl)chromen-2-one is O=c1ccc2cc(-c3ccc[nH]3)ccc2o1.
What is the InChIKey of 6-(1H-pyrrol-2-yl)chromen-2-one?
The InChIKey is PTRQKCDCLZSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-13-6-4-10-8-9(3-5-12(10)16-13)11-2-1-7-14-11/h1-8,14H.
What are the key properties of 6-(1H-pyrrol-2-yl)chromen-2-one?
6-(1H-pyrrol-2-yl)chromen-2-one has a molecular weight of 211.22 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrol-2-yl)chromen-2-one is sourced from PubChem (CID 87691765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).