3H-cyclopenta[a]naphthalene-1,2-dione

C13H8O2 — CID 67055632

IUPAC3H-cyclopenta[a]naphthalene-1,2-dione
SMILESO=C1Cc2ccc3ccccc3c2C1=O
InChIInChI=1S/C13H8O2/c14-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13(11)15/h1-6H,7H2
InChIKeyFWANVDQPTHCGCO-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.15
Rot. Bonds

About 3H-cyclopenta[a]naphthalene-1,2-dione

3H-cyclopenta[a]naphthalene-1,2-dione (PubChem CID 67055632) has the molecular formula C13H8O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3H-cyclopenta[a]naphthalene-1,2-dione.

Molecular Properties

Compound Name3H-cyclopenta[a]naphthalene-1,2-dione
PubChem CID67055632
Molecular FormulaC13H8O2
Molecular Weight196.21 g/mol
Exact Mass196.05
IUPAC Name3H-cyclopenta[a]naphthalene-1,2-dione
SMILESO=C1Cc2ccc3ccccc3c2C1=O
InChIInChI=1S/C13H8O2/c14-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13(11)15/h1-6H,7H2
InChIKeyFWANVDQPTHCGCO-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
(2Z)-2-(4-phenyl-1,3-dithiol-2-ylidene)-3H-cyclopenta[a]naphthalen-1-one
CID 20707393
13λ4-selenapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 10523489
2,4-dihydro-1H-picen-3-one
CID 91098928
3,4-dihydrobenzo[h]chromen-2-one
CID 19694428
benzo[c]fluoren-7-one
CID 22413
13-methyl-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 100921438
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
CID 14940541
21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 154629324
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
CID 159117646
14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene
CID 123585590

Frequently Asked Questions

What is the IUPAC name of 3H-cyclopenta[a]naphthalene-1,2-dione?
The IUPAC name of 3H-cyclopenta[a]naphthalene-1,2-dione (CID 67055632) is 3H-cyclopenta[a]naphthalene-1,2-dione.
What is the SMILES notation for 3H-cyclopenta[a]naphthalene-1,2-dione?
The canonical SMILES for 3H-cyclopenta[a]naphthalene-1,2-dione is O=C1Cc2ccc3ccccc3c2C1=O.
What is the InChIKey of 3H-cyclopenta[a]naphthalene-1,2-dione?
The InChIKey is FWANVDQPTHCGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13(11)15/h1-6H,7H2.
What are the key properties of 3H-cyclopenta[a]naphthalene-1,2-dione?
3H-cyclopenta[a]naphthalene-1,2-dione has a molecular weight of 196.21 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-cyclopenta[a]naphthalene-1,2-dione is sourced from PubChem (CID 67055632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).