(2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one

C13H10O — CID 98555823

IUPAC(2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one
SMILESO=C1C=C[C@@H]2[C@H]3c4ccccc4[C@@H]1[C@@H]23
InChIInChI=1S/C13H10O/c14-10-6-5-9-11-7-3-1-2-4-8(7)12(10)13(9)11/h1-6,9,11-13H/t9-,11-,12+,13+/m1/s1
InChIKeyUFMRJSPXCBNNAG-XEZLXBQYSA-N
MW182.22 g/mol
LogP2.25
Rot. Bonds

About (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one

(2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one (PubChem CID 98555823) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one.

Molecular Properties

Compound Name(2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one
PubChem CID98555823
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name(2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one
SMILESO=C1C=C[C@@H]2[C@H]3c4ccccc4[C@@H]1[C@@H]23
InChIInChI=1S/C13H10O/c14-10-6-5-9-11-7-3-1-2-4-8(7)12(10)13(9)11/h1-6,9,11-13H/t9-,11-,12+,13+/m1/s1
InChIKeyUFMRJSPXCBNNAG-XEZLXBQYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4R,6S)-tetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-trien-5-one
CID 177498754
(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
CID 99943945
(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene
CID 98514230
(15R,19R)-17-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 830957
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione
CID 139244724
(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene
CID 98158883
heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene
CID 140797975
(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one
CID 170551049
pentacyclo[6.6.4.215,18.02,7.09,14]icosa-2,4,6,9,11,13,16,19-octaene
CID 12885776
(1S,2S,3S,10S)-hexacyclo[8.8.0.02,18.03,11.04,9.012,17]octadeca-4,6,8,12,14,16-hexaene
CID 98514313
18-hydroxy-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-16-one
CID 12794146

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one?
The IUPAC name of (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one (CID 98555823) is (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one.
What is the SMILES notation for (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one?
The canonical SMILES for (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one is O=C1C=C[C@@H]2[C@H]3c4ccccc4[C@@H]1[C@@H]23.
What is the InChIKey of (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one?
The InChIKey is UFMRJSPXCBNNAG-XEZLXBQYSA-N. The full InChI is InChI=1S/C13H10O/c14-10-6-5-9-11-7-3-1-2-4-8(7)12(10)13(9)11/h1-6,9,11-13H/t9-,11-,12+,13+/m1/s1.
What are the key properties of (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one?
(2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one has a molecular weight of 182.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one is sourced from PubChem (CID 98555823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).