1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine

C23H28N2 — CID 86042501

IUPAC1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine
SMILESc1ccc2c(c1)-c1ccccc1C2(CN1CCCC1)CN1CCCC1
InChIInChI=1S/C23H28N2/c1-3-11-21-19(9-1)20-10-2-4-12-22(20)23(21,17-24-13-5-6-14-24)18-25-15-7-8-16-25/h1-4,9-12H,5-8,13-18H2
InChIKeyVTZDEFOLVWPWMT-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.14
Rot. Bonds4

About 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine

1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine (PubChem CID 86042501) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine
PubChem CID86042501
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine
SMILESc1ccc2c(c1)-c1ccccc1C2(CN1CCCC1)CN1CCCC1
InChIInChI=1S/C23H28N2/c1-3-11-21-19(9-1)20-10-2-4-12-22(20)23(21,17-24-13-5-6-14-24)18-25-15-7-8-16-25/h1-4,9-12H,5-8,13-18H2
InChIKeyVTZDEFOLVWPWMT-UHFFFAOYSA-N
XLogP4.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine (CID 86042501) is 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine is c1ccc2c(c1)-c1ccccc1C2(CN1CCCC1)CN1CCCC1.
What is the InChIKey of 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine?
The InChIKey is VTZDEFOLVWPWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-3-11-21-19(9-1)20-10-2-4-12-22(20)23(21,17-24-13-5-6-14-24)18-25-15-7-8-16-25/h1-4,9-12H,5-8,13-18H2.
What are the key properties of 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine?
1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine has a molecular weight of 332.49 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[9-(pyrrolidin-1-ylmethyl)fluoren-9-yl]methyl]pyrrolidine is sourced from PubChem (CID 86042501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).