9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride

C15H15ClN2O2 — CID 23080809

IUPAC9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
SMILESCl.NNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H14N2O2.ClH/c16-17-15(18)19-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;/h1-8,14H,9,16H2,(H,17,18);1H
InChIKeyDANJJHKOQXKRDA-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.82
Rot. Bonds2

About 9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride

9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride (PubChem CID 23080809) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
PubChem CID23080809
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
SMILESCl.NNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H14N2O2.ClH/c16-17-15(18)19-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;/h1-8,14H,9,16H2,(H,17,18);1H
InChIKeyDANJJHKOQXKRDA-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 118176347
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(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydrazinylpropanoic acid
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9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
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2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
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9H-fluoren-9-ylmethyl carbonofluoridate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride (CID 23080809) is 9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride is Cl.NNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride?
The InChIKey is DANJJHKOQXKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.ClH/c16-17-15(18)19-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;/h1-8,14H,9,16H2,(H,17,18);1H.
What are the key properties of 9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride?
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 2.82, 2 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-aminocarbamate;hydrochloride is sourced from PubChem (CID 23080809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).