9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol

C20H23NO3 — CID 23623470

IUPAC9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol
SMILESCN1CCCC1CO.O=C(O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H10O2.C6H13NO/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-7-4-2-3-6(7)5-8/h1-8,13H,(H,15,16);6,8H,2-5H2,1H3
InChIKeyBQEMROAVKNRULY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.96
Rot. Bonds2

About 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol

9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol (PubChem CID 23623470) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol
PubChem CID23623470
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol
SMILESCN1CCCC1CO.O=C(O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H10O2.C6H13NO/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-7-4-2-3-6(7)5-8/h1-8,13H,(H,15,16);6,8H,2-5H2,1H3
InChIKeyBQEMROAVKNRULY-UHFFFAOYSA-N
XLogP2.96
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
(2S)-2-(benzylsulfonylmethyl)-1-methylpyrrolidine
CID 174401893
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)methanone
CID 86817254
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 99634382
(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 5146689
[2-(3-aminophenyl)phenyl]-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamic acid
CID 121411267
[2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid
CID 121411237
[2-(2,4-dichlorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid
CID 121411435

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol?
The IUPAC name of 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol (CID 23623470) is 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol is CN1CCCC1CO.O=C(O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol?
The InChIKey is BQEMROAVKNRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.C6H13NO/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-7-4-2-3-6(7)5-8/h1-8,13H,(H,15,16);6,8H,2-5H2,1H3.
What are the key properties of 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol?
9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol has a molecular weight of 325.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene-9-carboxylic acid;(1-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 23623470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).