9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate

C26H22N2O2 — CID 170491949

IUPAC9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate
SMILESN#Cc1cccc(C=CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H22N2O2/c27-17-20-10-7-9-19(16-20)8-5-6-15-28-26(29)30-18-25-23-13-3-1-11-21(23)22-12-2-4-14-24(22)25/h1-5,7-14,16,25H,6,15,18H2,(H,28,29)
InChIKeySBLFLDAHCROZSD-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.50
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate (PubChem CID 170491949) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate
PubChem CID170491949
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate
SMILESN#Cc1cccc(C=CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H22N2O2/c27-17-20-10-7-9-19(16-20)8-5-6-15-28-26(29)30-18-25-23-13-3-1-11-21(23)22-12-2-4-14-24(22)25/h1-5,7-14,16,25H,6,15,18H2,(H,28,29)
InChIKeySBLFLDAHCROZSD-UHFFFAOYSA-N
XLogP5.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(3-cyano-4-hydroxyphenyl)but-3-enyl]carbamate
CID 170492335
9H-fluoren-9-ylmethyl N-[4-(3-carbamothioylphenyl)but-3-enyl]carbamate
CID 170492239
9H-fluoren-9-ylmethyl N-[4-(4-amino-3,5-dichlorophenyl)but-3-enyl]carbamate
CID 170492308
9H-fluoren-9-ylmethyl N-[4-(3-nitrophenyl)but-3-enyl]carbamate
CID 170492324
9H-fluoren-9-ylmethyl N-[4-[3-(dimethylcarbamoyl)phenyl]but-3-enyl]carbamate
CID 170492924
9H-fluoren-9-ylmethyl N-[4-(4-ethynylphenyl)but-3-enyl]carbamate
CID 170491777
9H-fluoren-9-ylmethyl N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)but-3-enyl]carbamate
CID 170491745
9H-fluoren-9-ylmethyl N-[4-(3-ethylsulfanylphenyl)but-3-enyl]carbamate
CID 170492054
1-[3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]phenyl]cyclopropane-1-carboxylic acid
CID 170493030
9H-fluoren-9-ylmethyl N-[4-(2-methylpyrimidin-5-yl)but-3-enyl]carbamate
CID 170491671
9H-fluoren-9-ylmethyl N-[4-(4-fluorophenyl)but-3-enyl]carbamate
CID 170491648
9H-fluoren-9-ylmethyl N-[4-(4-bromophenyl)but-3-enyl]carbamate
CID 170493276

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate (CID 170491949) is 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate is N#Cc1cccc(C=CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate?
The InChIKey is SBLFLDAHCROZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c27-17-20-10-7-9-19(16-20)8-5-6-15-28-26(29)30-18-25-23-13-3-1-11-21(23)22-12-2-4-14-24(22)25/h1-5,7-14,16,25H,6,15,18H2,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate has a molecular weight of 394.47 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-enyl]carbamate is sourced from PubChem (CID 170491949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).