9H-fluoren-9-ylmethyl N-pentylcarbamate

C20H23NO2 — CID 21064543

IUPAC9H-fluoren-9-ylmethyl N-pentylcarbamate
SMILESCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2/c1-2-3-8-13-21-20(22)23-14-19-17-11-6-4-9-15(17)16-10-5-7-12-18(16)19/h4-7,9-12,19H,2-3,8,13-14H2,1H3,(H,21,22)
InChIKeyNZXRADBANADOQV-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.72
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-pentylcarbamate

9H-fluoren-9-ylmethyl N-pentylcarbamate (PubChem CID 21064543) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-pentylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-pentylcarbamate
PubChem CID21064543
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name9H-fluoren-9-ylmethyl N-pentylcarbamate
SMILESCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2/c1-2-3-8-13-21-20(22)23-14-19-17-11-6-4-9-15(17)16-10-5-7-12-18(16)19/h4-7,9-12,19H,2-3,8,13-14H2,1H3,(H,21,22)
InChIKeyNZXRADBANADOQV-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-pentylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-pentylcarbamate (CID 21064543) is 9H-fluoren-9-ylmethyl N-pentylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-pentylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-pentylcarbamate is CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-pentylcarbamate?
The InChIKey is NZXRADBANADOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-3-8-13-21-20(22)23-14-19-17-11-6-4-9-15(17)16-10-5-7-12-18(16)19/h4-7,9-12,19H,2-3,8,13-14H2,1H3,(H,21,22).
What are the key properties of 9H-fluoren-9-ylmethyl N-pentylcarbamate?
9H-fluoren-9-ylmethyl N-pentylcarbamate has a molecular weight of 309.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-pentylcarbamate is sourced from PubChem (CID 21064543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).