(4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole

C13H18N2 — CID 1426586

IUPAC(4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
SMILESCc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2
InChIInChI=1S/C13H18N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,11,13-14H,5-6,8H2,1-2H3/t11-,13-/m0/s1
InChIKeyCYJQCYXRNNCURD-AAEUAGOBSA-N
MW202.30 g/mol
LogP2.21
Rot. Bonds

About (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole

(4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole (PubChem CID 1426586) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name(4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
PubChem CID1426586
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
SMILESCc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2
InChIInChI=1S/C13H18N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,11,13-14H,5-6,8H2,1-2H3/t11-,13-/m0/s1
InChIKeyCYJQCYXRNNCURD-AAEUAGOBSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
The IUPAC name of (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole (CID 1426586) is (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole.
What is the SMILES notation for (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
The canonical SMILES for (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole is Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2.
What is the InChIKey of (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
The InChIKey is CYJQCYXRNNCURD-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,11,13-14H,5-6,8H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
(4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole has a molecular weight of 202.30 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9bR)-2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole is sourced from PubChem (CID 1426586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).