3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole

C20H26N2 — CID 20585150

IUPAC3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole
SMILESCC1=C(c2c[nH]c3ccc(C(C)C)cc23)C[C@H]2CCCN2C1
InChIInChI=1S/C20H26N2/c1-13(2)15-6-7-20-18(9-15)19(11-21-20)17-10-16-5-4-8-22(16)12-14(17)3/h6-7,9,11,13,16,21H,4-5,8,10,12H2,1-3H3/t16-/m1/s1
InChIKeyPSZNJFHSYNTSPQ-MRXNPFEDSA-N
MW294.44 g/mol
LogP4.93
Rot. Bonds2

About 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole

3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole (PubChem CID 20585150) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole
PubChem CID20585150
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole
SMILESCC1=C(c2c[nH]c3ccc(C(C)C)cc23)C[C@H]2CCCN2C1
InChIInChI=1S/C20H26N2/c1-13(2)15-6-7-20-18(9-15)19(11-21-20)17-10-16-5-4-8-22(16)12-14(17)3/h6-7,9,11,13,16,21H,4-5,8,10,12H2,1-3H3/t16-/m1/s1
InChIKeyPSZNJFHSYNTSPQ-MRXNPFEDSA-N
XLogP4.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole?
The IUPAC name of 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole (CID 20585150) is 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole.
What is the SMILES notation for 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole?
The canonical SMILES for 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole is CC1=C(c2c[nH]c3ccc(C(C)C)cc23)C[C@H]2CCCN2C1.
What is the InChIKey of 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole?
The InChIKey is PSZNJFHSYNTSPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2/c1-13(2)15-6-7-20-18(9-15)19(11-21-20)17-10-16-5-4-8-22(16)12-14(17)3/h6-7,9,11,13,16,21H,4-5,8,10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole?
3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole has a molecular weight of 294.44 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8aR)-6-methyl-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-5-propan-2-yl-1H-indole is sourced from PubChem (CID 20585150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).