6-methyl-5-pyrrol-1-ylchromen-2-one

C14H11NO2 — CID 56649558

IUPAC6-methyl-5-pyrrol-1-ylchromen-2-one
SMILESCc1ccc2oc(=O)ccc2c1-n1cccc1
InChIInChI=1S/C14H11NO2/c1-10-4-6-12-11(5-7-13(16)17-12)14(10)15-8-2-3-9-15/h2-9H,1H3
InChIKeyQDOAJSGGNSKEHM-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.89
Rot. Bonds1

About 6-methyl-5-pyrrol-1-ylchromen-2-one

6-methyl-5-pyrrol-1-ylchromen-2-one (PubChem CID 56649558) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methyl-5-pyrrol-1-ylchromen-2-one.

Molecular Properties

Compound Name6-methyl-5-pyrrol-1-ylchromen-2-one
PubChem CID56649558
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name6-methyl-5-pyrrol-1-ylchromen-2-one
SMILESCc1ccc2oc(=O)ccc2c1-n1cccc1
InChIInChI=1S/C14H11NO2/c1-10-4-6-12-11(5-7-13(16)17-12)14(10)15-8-2-3-9-15/h2-9H,1H3
InChIKeyQDOAJSGGNSKEHM-UHFFFAOYSA-N
XLogP2.89
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
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 6-methyl-5-pyrrol-1-ylchromen-2-one?
The IUPAC name of 6-methyl-5-pyrrol-1-ylchromen-2-one (CID 56649558) is 6-methyl-5-pyrrol-1-ylchromen-2-one.
What is the SMILES notation for 6-methyl-5-pyrrol-1-ylchromen-2-one?
The canonical SMILES for 6-methyl-5-pyrrol-1-ylchromen-2-one is Cc1ccc2oc(=O)ccc2c1-n1cccc1.
What is the InChIKey of 6-methyl-5-pyrrol-1-ylchromen-2-one?
The InChIKey is QDOAJSGGNSKEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-10-4-6-12-11(5-7-13(16)17-12)14(10)15-8-2-3-9-15/h2-9H,1H3.
What are the key properties of 6-methyl-5-pyrrol-1-ylchromen-2-one?
6-methyl-5-pyrrol-1-ylchromen-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-pyrrol-1-ylchromen-2-one is sourced from PubChem (CID 56649558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).