(10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene

C25H24N2O — CID 137454524

IUPAC(10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
SMILESCc1cc2oc3ccccc3c2cc1N1C2CCN(Cc3ccccc32)[C@@H]1C
InChIInChI=1S/C25H24N2O/c1-16-13-25-21(20-9-5-6-10-24(20)28-25)14-23(16)27-17(2)26-12-11-22(27)19-8-4-3-7-18(19)15-26/h3-10,13-14,17,22H,11-12,15H2,1-2H3/t17-,22?/m0/s1
InChIKeyXSCUKEOISBPDRM-LBOXEOMUSA-N
MW368.48 g/mol
LogP6.01
Rot. Bonds1

About (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene

(10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene (PubChem CID 137454524) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name(10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
PubChem CID137454524
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name(10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
SMILESCc1cc2oc3ccccc3c2cc1N1C2CCN(Cc3ccccc32)[C@@H]1C
InChIInChI=1S/C25H24N2O/c1-16-13-25-21(20-9-5-6-10-24(20)28-25)14-23(16)27-17(2)26-12-11-22(27)19-8-4-3-7-18(19)15-26/h3-10,13-14,17,22H,11-12,15H2,1-2H3/t17-,22?/m0/s1
InChIKeyXSCUKEOISBPDRM-LBOXEOMUSA-N
XLogP6.01
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The IUPAC name of (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene (CID 137454524) is (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene.
What is the SMILES notation for (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The canonical SMILES for (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene is Cc1cc2oc3ccccc3c2cc1N1C2CCN(Cc3ccccc32)[C@@H]1C.
What is the InChIKey of (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The InChIKey is XSCUKEOISBPDRM-LBOXEOMUSA-N. The full InChI is InChI=1S/C25H24N2O/c1-16-13-25-21(20-9-5-6-10-24(20)28-25)14-23(16)27-17(2)26-12-11-22(27)19-8-4-3-7-18(19)15-26/h3-10,13-14,17,22H,11-12,15H2,1-2H3/t17-,22?/m0/s1.
What are the key properties of (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
(10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene has a molecular weight of 368.48 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-methyl-11-(3-methyldibenzofuran-2-yl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 137454524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).