cyclopenta[a]fluorene-1,2-dione

C16H8O2 — CID 87349541

IUPACcyclopenta[a]fluorene-1,2-dione
SMILESO=c1cc2ccc3c4ccccc4cc3c2c1=O
InChIInChI=1S/C16H8O2/c17-14-8-10-5-6-12-11-4-2-1-3-9(11)7-13(12)15(10)16(14)18/h1-8H
InChIKeyVGXPJIRTWSRLKQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.74
Rot. Bonds

About cyclopenta[a]fluorene-1,2-dione

cyclopenta[a]fluorene-1,2-dione (PubChem CID 87349541) has the molecular formula C16H8O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is cyclopenta[a]fluorene-1,2-dione.

Molecular Properties

Compound Namecyclopenta[a]fluorene-1,2-dione
PubChem CID87349541
Molecular FormulaC16H8O2
Molecular Weight232.24 g/mol
Exact Mass232.05
IUPAC Namecyclopenta[a]fluorene-1,2-dione
SMILESO=c1cc2ccc3c4ccccc4cc3c2c1=O
InChIInChI=1S/C16H8O2/c17-14-8-10-5-6-12-11-4-2-1-3-9(11)7-13(12)15(10)16(14)18/h1-8H
InChIKeyVGXPJIRTWSRLKQ-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene-5,19-dione
CID 137432784
hexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-3-one
CID 23692
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione
CID 177421008
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
nonacyclo[17.11.1.14,8.02,17.03,14.05,30.020,25.027,31.012,32]dotriaconta-1(30),2(17),3(14),4,6,8(32),9,11,15,18,20,22,24,27(31),28-pentadecaene-13,26-dione
CID 4616247
nonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.023,28.029,34]tetratriaconta-1(22),2(15),3(12),4,6,8,10,13,16,18,20,23,25,27,29(34),30,32-heptadecaene
CID 21082984
heptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1,3(16),4(13),6,8,10,14,17,19(28),21,23,25,29-tridecaene-5,12,20,27-tetrone
CID 44720480
nonacyclo[14.14.2.02,11.03,8.04,29.012,32.019,31.021,30.022,27]dotriaconta-1(31),2(11),3(8),4,6,9,12,14,16(32),17,19,21(30),22,24,26,28-hexadecaene
CID 21083013
naphtho[1,2-b]phenanthrene
CID 5889
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione
CID 22066356

Frequently Asked Questions

What is the IUPAC name of cyclopenta[a]fluorene-1,2-dione?
The IUPAC name of cyclopenta[a]fluorene-1,2-dione (CID 87349541) is cyclopenta[a]fluorene-1,2-dione.
What is the SMILES notation for cyclopenta[a]fluorene-1,2-dione?
The canonical SMILES for cyclopenta[a]fluorene-1,2-dione is O=c1cc2ccc3c4ccccc4cc3c2c1=O.
What is the InChIKey of cyclopenta[a]fluorene-1,2-dione?
The InChIKey is VGXPJIRTWSRLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O2/c17-14-8-10-5-6-12-11-4-2-1-3-9(11)7-13(12)15(10)16(14)18/h1-8H.
What are the key properties of cyclopenta[a]fluorene-1,2-dione?
cyclopenta[a]fluorene-1,2-dione has a molecular weight of 232.24 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[a]fluorene-1,2-dione is sourced from PubChem (CID 87349541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).