[3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate

C19H15NO5 — CID 54052342

IUPAC[3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate
SMILESO=C(O)On1c(O)cc(CC2c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C19H15NO5/c21-17-10-11(18(22)20(17)25-19(23)24)9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,10,16,21-22H,9H2,(H,23,24)
InChIKeyLTUMWLLNPCWXMN-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.36
Rot. Bonds3

About [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate

[3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate (PubChem CID 54052342) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate
PubChem CID54052342
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name[3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate
SMILESO=C(O)On1c(O)cc(CC2c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C19H15NO5/c21-17-10-11(18(22)20(17)25-19(23)24)9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,10,16,21-22H,9H2,(H,23,24)
InChIKeyLTUMWLLNPCWXMN-UHFFFAOYSA-N
XLogP3.36
TPSA91.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate?
The IUPAC name of [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate (CID 54052342) is [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate.
What is the SMILES notation for [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate?
The canonical SMILES for [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate is O=C(O)On1c(O)cc(CC2c3ccccc3-c3ccccc32)c1O.
What is the InChIKey of [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate?
The InChIKey is LTUMWLLNPCWXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-17-10-11(18(22)20(17)25-19(23)24)9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,10,16,21-22H,9H2,(H,23,24).
What are the key properties of [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate?
[3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate has a molecular weight of 337.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(9H-fluoren-9-ylmethyl)-2,5-dihydroxypyrrol-1-yl] hydrogen carbonate is sourced from PubChem (CID 54052342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).