N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide

C18H18N2O2 — CID 122558381

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18N2O2/c21-16-10-19-9-15(16)20-18(22)17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,15-17,19,21H,9-10H2,(H,20,22)/t15-,16-/m1/s1
InChIKeyJSMNMEPEPVDUAG-HZPDHXFCSA-N
MW294.35 g/mol
LogP1.25
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide (PubChem CID 122558381) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide
PubChem CID122558381
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18N2O2/c21-16-10-19-9-15(16)20-18(22)17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,15-17,19,21H,9-10H2,(H,20,22)/t15-,16-/m1/s1
InChIKeyJSMNMEPEPVDUAG-HZPDHXFCSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide (CID 122558381) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide is O=C(N[C@@H]1CNC[C@H]1O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide?
The InChIKey is JSMNMEPEPVDUAG-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-16-10-19-9-15(16)20-18(22)17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,15-17,19,21H,9-10H2,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-9H-fluorene-9-carboxamide is sourced from PubChem (CID 122558381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).