5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile

C21H10N2O2 — CID 134975220

IUPAC5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile
SMILESN#Cc1c(N)c2c3ccccc3c(=O)c2c2c1c(=O)c1ccccc12
InChIInChI=1S/C21H10N2O2/c22-9-14-17-15(10-5-1-3-7-12(10)20(17)24)18-16(19(14)23)11-6-2-4-8-13(11)21(18)25/h1-8H,23H2
InChIKeyMHOMHVDQHWHBQB-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.35
Rot. Bonds

About 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile

5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile (PubChem CID 134975220) has the molecular formula C21H10N2O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile.

Molecular Properties

Compound Name5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile
PubChem CID134975220
Molecular FormulaC21H10N2O2
Molecular Weight322.32 g/mol
Exact Mass322.07
IUPAC Name5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile
SMILESN#Cc1c(N)c2c3ccccc3c(=O)c2c2c1c(=O)c1ccccc12
InChIInChI=1S/C21H10N2O2/c22-9-14-17-15(10-5-1-3-7-12(10)20(17)24)18-16(19(14)23)11-6-2-4-8-13(11)21(18)25/h1-8H,23H2
InChIKeyMHOMHVDQHWHBQB-UHFFFAOYSA-N
XLogP3.35
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.35
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 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile?
The IUPAC name of 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile (CID 134975220) is 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile.
What is the SMILES notation for 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile?
The canonical SMILES for 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile is N#Cc1c(N)c2c3ccccc3c(=O)c2c2c1c(=O)c1ccccc12.
What is the InChIKey of 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile?
The InChIKey is MHOMHVDQHWHBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10N2O2/c22-9-14-17-15(10-5-1-3-7-12(10)20(17)24)18-16(19(14)23)11-6-2-4-8-13(11)21(18)25/h1-8H,23H2.
What are the key properties of 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile?
5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile has a molecular weight of 322.32 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7,12-dioxoindeno[1,2-a]fluorene-6-carbonitrile is sourced from PubChem (CID 134975220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).