ethyl N-(fluoren-9-ylideneamino)carbamate

C16H14N2O2 — CID 794093

IUPACethyl N-(fluoren-9-ylideneamino)carbamate
SMILESCCOC(=O)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)18-17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3,(H,18,19)
InChIKeyHEOGTOTYLNJLDD-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.17
Rot. Bonds2

About ethyl N-(fluoren-9-ylideneamino)carbamate

ethyl N-(fluoren-9-ylideneamino)carbamate (PubChem CID 794093) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl N-(fluoren-9-ylideneamino)carbamate.

Molecular Properties

Compound Nameethyl N-(fluoren-9-ylideneamino)carbamate
PubChem CID794093
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl N-(fluoren-9-ylideneamino)carbamate
SMILESCCOC(=O)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)18-17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3,(H,18,19)
InChIKeyHEOGTOTYLNJLDD-UHFFFAOYSA-N
XLogP3.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(fluoren-9-ylideneamino)carbamate?
The IUPAC name of ethyl N-(fluoren-9-ylideneamino)carbamate (CID 794093) is ethyl N-(fluoren-9-ylideneamino)carbamate.
What is the SMILES notation for ethyl N-(fluoren-9-ylideneamino)carbamate?
The canonical SMILES for ethyl N-(fluoren-9-ylideneamino)carbamate is CCOC(=O)NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of ethyl N-(fluoren-9-ylideneamino)carbamate?
The InChIKey is HEOGTOTYLNJLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)18-17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of ethyl N-(fluoren-9-ylideneamino)carbamate?
ethyl N-(fluoren-9-ylideneamino)carbamate has a molecular weight of 266.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(fluoren-9-ylideneamino)carbamate is sourced from PubChem (CID 794093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).