9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate

C20H17NO2 — CID 175706774

IUPAC9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H17NO2/c1-21-12-6-11-19(21)20(22)23-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-12,18H,13H2,1H3
InChIKeyQEGNZKWJAITQLF-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.99
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate

9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate (PubChem CID 175706774) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate
PubChem CID175706774
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H17NO2/c1-21-12-6-11-19(21)20(22)23-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-12,18H,13H2,1H3
InChIKeyQEGNZKWJAITQLF-UHFFFAOYSA-N
XLogP3.99
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10131014
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CID 5185129
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9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
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9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate (CID 175706774) is 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate?
The InChIKey is QEGNZKWJAITQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-21-12-6-11-19(21)20(22)23-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-12,18H,13H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate?
9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 175706774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).