9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate

C25H21N3O2 — CID 169469509

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate
SMILESN#Cc1c(N)cccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21N3O2/c26-15-22-17(7-5-13-24(22)27)8-6-14-28-25(29)30-16-23-20-11-3-1-9-18(20)19-10-2-4-12-21(19)23/h1-13,23H,14,16,27H2,(H,28,29)
InChIKeyUZBWRUYBONXIQI-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.69
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate (PubChem CID 169469509) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate
PubChem CID169469509
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate
SMILESN#Cc1c(N)cccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21N3O2/c26-15-22-17(7-5-13-24(22)27)8-6-14-28-25(29)30-16-23-20-11-3-1-9-18(20)19-10-2-4-12-21(19)23/h1-13,23H,14,16,27H2,(H,28,29)
InChIKeyUZBWRUYBONXIQI-UHFFFAOYSA-N
XLogP4.69
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169469103
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469951
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-pyridinyl)prop-2-enyl]carbamate
CID 169468973
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469609
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
CID 169469598
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469496
9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169470824
9H-fluoren-9-ylmethyl N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]carbamate
CID 169469327

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate (CID 169469509) is 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate is N#Cc1c(N)cccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate?
The InChIKey is UZBWRUYBONXIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c26-15-22-17(7-5-13-24(22)27)8-6-14-28-25(29)30-16-23-20-11-3-1-9-18(20)19-10-2-4-12-21(19)23/h1-13,23H,14,16,27H2,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).