9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride

C20H23ClN2O2 — CID 122705893

IUPAC9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride
SMILESCl.O=C(NC[C@H]1CCCN1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22N2O2.ClH/c23-20(22-12-14-6-5-11-21-14)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19;/h1-4,7-10,14,19,21H,5-6,11-13H2,(H,22,23);1H/t14-;/m1./s1
InChIKeyUHOBWBFDVGTBKK-PFEQFJNWSA-N
MW358.87 g/mol
LogP3.70
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride

9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride (PubChem CID 122705893) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride
PubChem CID122705893
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride
SMILESCl.O=C(NC[C@H]1CCCN1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22N2O2.ClH/c23-20(22-12-14-6-5-11-21-14)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19;/h1-4,7-10,14,19,21H,5-6,11-13H2,(H,22,23);1H/t14-;/m1./s1
InChIKeyUHOBWBFDVGTBKK-PFEQFJNWSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride (CID 122705893) is 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride is Cl.O=C(NC[C@H]1CCCN1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride?
The InChIKey is UHOBWBFDVGTBKK-PFEQFJNWSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c23-20(22-12-14-6-5-11-21-14)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19;/h1-4,7-10,14,19,21H,5-6,11-13H2,(H,22,23);1H/t14-;/m1./s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride?
9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride is sourced from PubChem (CID 122705893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).