2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C20H25N3O — CID 899505

IUPAC2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C3c1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C20H25N3O/c1-3-8-20-12-22-10-19(2,18(20)24)11-23(13-20)17(22)15-9-21-16-7-5-4-6-14(15)16/h4-7,9,17,21H,3,8,10-13H2,1-2H3
InChIKeyKJTWNVCTQQGZSI-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.17
Rot. Bonds3

About 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 899505) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID899505
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C3c1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C20H25N3O/c1-3-8-20-12-22-10-19(2,18(20)24)11-23(13-20)17(22)15-9-21-16-7-5-4-6-14(15)16/h4-7,9,17,21H,3,8,10-13H2,1-2H3
InChIKeyKJTWNVCTQQGZSI-UHFFFAOYSA-N
XLogP3.17
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 899505) is 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCCC12CN3CC(C)(CN(C1)C3c1c[nH]c3ccccc13)C2=O.
What is the InChIKey of 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is KJTWNVCTQQGZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-8-20-12-22-10-19(2,18(20)24)11-23(13-20)17(22)15-9-21-16-7-5-4-6-14(15)16/h4-7,9,17,21H,3,8,10-13H2,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 323.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 899505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).