3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile

C19H11N3O — CID 2807450

IUPAC3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c2c(c1-c1ccco1)Cc1ccccc1-2
InChIInChI=1S/C19H11N3O/c20-9-14-17-12-5-2-1-4-11(12)8-13(17)18(15(10-21)19(14)22)16-6-3-7-23-16/h1-7H,8,22H2
InChIKeyBCPAKRSHUBORCY-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.84
Rot. Bonds1

About 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile

3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile (PubChem CID 2807450) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile
PubChem CID2807450
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c2c(c1-c1ccco1)Cc1ccccc1-2
InChIInChI=1S/C19H11N3O/c20-9-14-17-12-5-2-1-4-11(12)8-13(17)18(15(10-21)19(14)22)16-6-3-7-23-16/h1-7H,8,22H2
InChIKeyBCPAKRSHUBORCY-UHFFFAOYSA-N
XLogP3.84
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile (CID 2807450) is 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile is N#Cc1c(N)c(C#N)c2c(c1-c1ccco1)Cc1ccccc1-2.
What is the InChIKey of 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile?
The InChIKey is BCPAKRSHUBORCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O/c20-9-14-17-12-5-2-1-4-11(12)8-13(17)18(15(10-21)19(14)22)16-6-3-7-23-16/h1-7H,8,22H2.
What are the key properties of 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile?
3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile has a molecular weight of 297.32 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile is sourced from PubChem (CID 2807450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).