2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole

C18H24N2 — CID 57391572

IUPAC2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
SMILESCc1ccc2[nH]c3c(c2c1)C(C)C1CN(C)CCC1C3
InChIInChI=1S/C18H24N2/c1-11-4-5-16-14(8-11)18-12(2)15-10-20(3)7-6-13(15)9-17(18)19-16/h4-5,8,12-13,15,19H,6-7,9-10H2,1-3H3
InChIKeyWWOFBJFAEQLWSA-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.70
Rot. Bonds

About 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole

2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole (PubChem CID 57391572) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole.

Molecular Properties

Compound Name2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
PubChem CID57391572
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
SMILESCc1ccc2[nH]c3c(c2c1)C(C)C1CN(C)CCC1C3
InChIInChI=1S/C18H24N2/c1-11-4-5-16-14(8-11)18-12(2)15-10-20(3)7-6-13(15)9-17(18)19-16/h4-5,8,12-13,15,19H,6-7,9-10H2,1-3H3
InChIKeyWWOFBJFAEQLWSA-UHFFFAOYSA-N
XLogP3.70
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole?
The IUPAC name of 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole (CID 57391572) is 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole.
What is the SMILES notation for 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole?
The canonical SMILES for 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole is Cc1ccc2[nH]c3c(c2c1)C(C)C1CN(C)CCC1C3.
What is the InChIKey of 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole?
The InChIKey is WWOFBJFAEQLWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-11-4-5-16-14(8-11)18-12(2)15-10-20(3)7-6-13(15)9-17(18)19-16/h4-5,8,12-13,15,19H,6-7,9-10H2,1-3H3.
What are the key properties of 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole?
2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole has a molecular weight of 268.40 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,11-trimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole is sourced from PubChem (CID 57391572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).