5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole

C15H14FNO — CID 167561431

IUPAC5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole
SMILESC=C1COc2cc(C3=NC(F)=C(C)C3)ccc2C1
InChIInChI=1S/C15H14FNO/c1-9-5-12-4-3-11(7-14(12)18-8-9)13-6-10(2)15(16)17-13/h3-4,7H,1,5-6,8H2,2H3
InChIKeyDFJVSNNSOKQYQD-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.57
Rot. Bonds1

About 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole

5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole (PubChem CID 167561431) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole
PubChem CID167561431
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole
SMILESC=C1COc2cc(C3=NC(F)=C(C)C3)ccc2C1
InChIInChI=1S/C15H14FNO/c1-9-5-12-4-3-11(7-14(12)18-8-9)13-6-10(2)15(16)17-13/h3-4,7H,1,5-6,8H2,2H3
InChIKeyDFJVSNNSOKQYQD-UHFFFAOYSA-N
XLogP3.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole?
The IUPAC name of 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole (CID 167561431) is 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole.
What is the SMILES notation for 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole?
The canonical SMILES for 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole is C=C1COc2cc(C3=NC(F)=C(C)C3)ccc2C1.
What is the InChIKey of 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole?
The InChIKey is DFJVSNNSOKQYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-9-5-12-4-3-11(7-14(12)18-8-9)13-6-10(2)15(16)17-13/h3-4,7H,1,5-6,8H2,2H3.
What are the key properties of 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole?
5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole has a molecular weight of 243.28 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrole is sourced from PubChem (CID 167561431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).