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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Related Compounds

heptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene-9,18,21-trione
CID 42643402
2,4-diamino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 71372426
pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile
CID 146436976
heptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),20,22,24,27-tridecaene-3,19-dione
CID 137432761
2-(18,27-dioxo-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenylidene)propanedinitrile
CID 20603464
2-amino-3,4-dioxocyclobutene-1-carbonitrile
CID 142659151
heptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene-12,25-dione
CID 137432794
24-phenylhexacyclo[19.2.1.03,8.09,23.013,22.014,19]tetracosa-1(24),3,5,7,9(23),10,12,14,16,18,21-undecaene-2,20-dione
CID 11825708
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022
nonacyclo[16.14.1.12,13.04,12.05,10.022,33.023,31.025,30.017,34]tetratriaconta-1(32),2,4(12),5,7,9,13,15,17(34),18(33),19,21,23(31),25,27,29-hexadecaene-11,24-dione
CID 139044784
heptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene-4,19-dione
CID 137432792
14,29-diamino-15,30-dichloro-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone
CID 71301163

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).