(6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one

C24H21NO2 — CID 71748733

IUPAC(6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one
SMILESC=C1C=C(C)C=C2O[C@H](C)c3cc4c(cc3[C@@H]12)CN(c1ccccc1)C4=O
InChIInChI=1S/C24H21NO2/c1-14-9-15(2)23-21-11-17-13-25(18-7-5-4-6-8-18)24(26)20(17)12-19(21)16(3)27-22(23)10-14/h4-12,16,23H,2,13H2,1,3H3/t16-,23-/m1/s1
InChIKeyZBYIDSWKPMSFQN-WAIKUNEKSA-N
MW355.44 g/mol
LogP5.42
Rot. Bonds1

About (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one

(6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one (PubChem CID 71748733) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one.

Molecular Properties

Compound Name(6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one
PubChem CID71748733
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one
SMILESC=C1C=C(C)C=C2O[C@H](C)c3cc4c(cc3[C@@H]12)CN(c1ccccc1)C4=O
InChIInChI=1S/C24H21NO2/c1-14-9-15(2)23-21-11-17-13-25(18-7-5-4-6-8-18)24(26)20(17)12-19(21)16(3)27-22(23)10-14/h4-12,16,23H,2,13H2,1,3H3/t16-,23-/m1/s1
InChIKeyZBYIDSWKPMSFQN-WAIKUNEKSA-N
XLogP5.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one?
The IUPAC name of (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one (CID 71748733) is (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one.
What is the SMILES notation for (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one?
The canonical SMILES for (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one is C=C1C=C(C)C=C2O[C@H](C)c3cc4c(cc3[C@@H]12)CN(c1ccccc1)C4=O.
What is the InChIKey of (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one?
The InChIKey is ZBYIDSWKPMSFQN-WAIKUNEKSA-N. The full InChI is InChI=1S/C24H21NO2/c1-14-9-15(2)23-21-11-17-13-25(18-7-5-4-6-8-18)24(26)20(17)12-19(21)16(3)27-22(23)10-14/h4-12,16,23H,2,13H2,1,3H3/t16-,23-/m1/s1.
What are the key properties of (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one?
(6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one has a molecular weight of 355.44 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11bR)-3,6-dimethyl-1-methylidene-9-phenyl-10,11b-dihydro-6H-chromeno[4,3-f]isoindol-8-one is sourced from PubChem (CID 71748733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).