9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate

C24H19NO4 — CID 170460154

IUPAC9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate
SMILESO=Cc1ccc(C#CCCNC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C24H19NO4/c26-15-18-13-12-17(29-18)7-5-6-14-25-24(27)28-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-13,15,23H,6,14,16H2,(H,25,27)
InChIKeyTWDLVFZPKYJNQQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.37
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate (PubChem CID 170460154) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate
PubChem CID170460154
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate
SMILESO=Cc1ccc(C#CCCNC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C24H19NO4/c26-15-18-13-12-17(29-18)7-5-6-14-25-24(27)28-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-13,15,23H,6,14,16H2,(H,25,27)
InChIKeyTWDLVFZPKYJNQQ-UHFFFAOYSA-N
XLogP4.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate
CID 170460214
9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-formylphenyl)but-3-ynyl]carbamate
CID 170460629
9H-fluoren-9-ylmethyl N-[4-[5-(hydroxymethyl)thiophen-2-yl]but-3-ynyl]carbamate
CID 170460160
9H-fluoren-9-ylmethyl N-(4-pyrimidin-2-ylbut-3-ynyl)carbamate
CID 170460133
9H-fluoren-9-ylmethyl N-[4-(3-formyl-5-methylphenyl)but-3-ynyl]carbamate
CID 170460664
9H-fluoren-9-ylmethyl N-[4-(4-formyl-3-methoxyphenyl)but-3-ynyl]carbamate
CID 170461022
9H-fluoren-9-ylmethyl N-[4-(5-chlorothiophen-2-yl)but-3-ynyl]carbamate
CID 170460123
9H-fluoren-9-ylmethyl N-[4-(6-chloropyridazin-3-yl)but-3-ynyl]carbamate
CID 170461778
9H-fluoren-9-ylmethyl N-[4-[2-(aminomethyl)phenyl]but-3-ynyl]carbamate
CID 170460453
9H-fluoren-9-ylmethyl N-[4-(3,5-dichlorophenyl)but-3-ynyl]carbamate
CID 170460302
9H-fluoren-9-ylmethyl N-[4-(5-fluoro-4-formyl-2-pyridinyl)but-3-ynyl]carbamate
CID 170460830
9H-fluoren-9-ylmethyl N-[4-(2-formyl-3-hydroxy-4-methoxyphenyl)but-3-ynyl]carbamate
CID 170461343

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate (CID 170460154) is 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate is O=Cc1ccc(C#CCCNC(=O)OCC2c3ccccc3-c3ccccc32)o1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate?
The InChIKey is TWDLVFZPKYJNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-15-18-13-12-17(29-18)7-5-6-14-25-24(27)28-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-13,15,23H,6,14,16H2,(H,25,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate has a molecular weight of 385.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(5-formylfuran-2-yl)but-3-ynyl]carbamate is sourced from PubChem (CID 170460154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).