tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate

C22H25NO2 — CID 170491424

IUPACtert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H25NO2/c1-22(2,3)25-21(24)23-13-7-6-8-16-11-12-20-18(14-16)15-17-9-4-5-10-19(17)20/h4-6,8-12,14H,7,13,15H2,1-3H3,(H,23,24)
InChIKeyQXNCZVIUCDINII-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.19
Rot. Bonds4

About tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate

tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate (PubChem CID 170491424) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate
PubChem CID170491424
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Nametert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H25NO2/c1-22(2,3)25-21(24)23-13-7-6-8-16-11-12-20-18(14-16)15-17-9-4-5-10-19(17)20/h4-6,8-12,14H,7,13,15H2,1-3H3,(H,23,24)
InChIKeyQXNCZVIUCDINII-UHFFFAOYSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate (CID 170491424) is tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate is CC(C)(C)OC(=O)NCCC=Cc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate?
The InChIKey is QXNCZVIUCDINII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-22(2,3)25-21(24)23-13-7-6-8-16-11-12-20-18(14-16)15-17-9-4-5-10-19(17)20/h4-6,8-12,14H,7,13,15H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate?
tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate has a molecular weight of 335.45 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(9H-fluoren-2-yl)but-3-enyl]carbamate is sourced from PubChem (CID 170491424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).