furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone

C14H9NO4 — CID 47411580

IUPACfuro[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1cc2cc3c(cc2o1)OCO3
InChIInChI=1S/C14H9NO4/c16-14(9-2-1-3-15-9)13-5-8-4-11-12(18-7-17-11)6-10(8)19-13/h1-6,15H,7H2
InChIKeyCXMYSIWRIRRIQV-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.72
Rot. Bonds2

About furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone

furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone (PubChem CID 47411580) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Namefuro[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone
PubChem CID47411580
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Namefuro[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)c1cc2cc3c(cc2o1)OCO3
InChIInChI=1S/C14H9NO4/c16-14(9-2-1-3-15-9)13-5-8-4-11-12(18-7-17-11)6-10(8)19-13/h1-6,15H,7H2
InChIKeyCXMYSIWRIRRIQV-UHFFFAOYSA-N
XLogP2.72
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone
CID 60587967
(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587952
(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587932
N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrrol-2-yl)methanone
CID 63750334
1,3-benzodioxol-5-yl-(5-bromo-1-benzofuran-2-yl)methanone
CID 28888936
[(E)-[amino(1,3-benzodioxol-5-yl)methylidene]amino] 1H-pyrrole-2-carboxylate
CID 172906745
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544072
naphthalen-2-yl(1H-pyrrol-2-yl)methanone
CID 63749786
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549923
4-(furo[2,3-f][1,3]benzodioxol-6-ylmethyl)phenol
CID 123388809

Frequently Asked Questions

What is the IUPAC name of furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone?
The IUPAC name of furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone (CID 47411580) is furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone?
The canonical SMILES for furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)c1cc2cc3c(cc2o1)OCO3.
What is the InChIKey of furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone?
The InChIKey is CXMYSIWRIRRIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-14(9-2-1-3-15-9)13-5-8-4-11-12(18-7-17-11)6-10(8)19-13/h1-6,15H,7H2.
What are the key properties of furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone?
furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone has a molecular weight of 255.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 47411580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).