2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one

C18H17NO2 — CID 11536446

IUPAC2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one
SMILESCN1CC[C@H](Oc2ccc3c(c2)C(=O)c2ccccc2-3)C1
InChIInChI=1S/C18H17NO2/c1-19-9-8-13(11-19)21-12-6-7-15-14-4-2-3-5-16(14)18(20)17(15)10-12/h2-7,10,13H,8-9,11H2,1H3/t13-/m0/s1
InChIKeyOGNOVPKLEURRCO-ZDUSSCGKSA-N
MW279.34 g/mol
LogP2.98
Rot. Bonds2

About 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one

2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one (PubChem CID 11536446) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one.

Molecular Properties

Compound Name2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one
PubChem CID11536446
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one
SMILESCN1CC[C@H](Oc2ccc3c(c2)C(=O)c2ccccc2-3)C1
InChIInChI=1S/C18H17NO2/c1-19-9-8-13(11-19)21-12-6-7-15-14-4-2-3-5-16(14)18(20)17(15)10-12/h2-7,10,13H,8-9,11H2,1H3/t13-/m0/s1
InChIKeyOGNOVPKLEURRCO-ZDUSSCGKSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-bis[[(3S)-1-methylpyrrolidin-3-yl]oxy]fluoren-9-one
CID 11406297
2-piperidin-4-yloxyfluoren-9-one
CID 11572703
2-pyrrolidin-3-yloxyfluoren-9-one
CID 67162742
2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine
CID 174733971
CID 140799111
CID 140799111
ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
CID 176937832
2-piperidin-4-yloxyfluoren-9-one;2,2,2-trifluoroacetic acid
CID 67164914
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076497
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
4-(1-methylpyrrolidin-3-yl)oxy-2-nitroaniline
CID 154684587
3-[3-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine
CID 137435425

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one?
The IUPAC name of 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one (CID 11536446) is 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one.
What is the SMILES notation for 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one?
The canonical SMILES for 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one is CN1CC[C@H](Oc2ccc3c(c2)C(=O)c2ccccc2-3)C1.
What is the InChIKey of 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one?
The InChIKey is OGNOVPKLEURRCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-9-8-13(11-19)21-12-6-7-15-14-4-2-3-5-16(14)18(20)17(15)10-12/h2-7,10,13H,8-9,11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one?
2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one has a molecular weight of 279.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-methylpyrrolidin-3-yl]oxyfluoren-9-one is sourced from PubChem (CID 11536446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).