3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine

C20H20N2 — CID 91561975

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine
SMILESCC1=C(c2ccc3c(c2)CCN3)/C=N\c2ccccc2CC1
InChIInChI=1S/C20H20N2/c1-14-6-7-15-4-2-3-5-19(15)22-13-18(14)16-8-9-20-17(12-16)10-11-21-20/h2-5,8-9,12-13,21H,6-7,10-11H2,1H3/b18-14?,22-13-
InChIKeyCEAHFDBFJWUAIM-YQZXVLLQSA-N
MW288.39 g/mol
LogP4.78
Rot. Bonds1

About 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine

3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine (PubChem CID 91561975) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine
PubChem CID91561975
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine
SMILESCC1=C(c2ccc3c(c2)CCN3)/C=N\c2ccccc2CC1
InChIInChI=1S/C20H20N2/c1-14-6-7-15-4-2-3-5-19(15)22-13-18(14)16-8-9-20-17(12-16)10-11-21-20/h2-5,8-9,12-13,21H,6-7,10-11H2,1H3/b18-14?,22-13-
InChIKeyCEAHFDBFJWUAIM-YQZXVLLQSA-N
XLogP4.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
CID 106878936
5-pyridazin-3-yl-2,3-dihydro-1H-indole
CID 160964967
2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole
CID 82474601
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645
3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline
CID 116998160
5-(2-methylthiophen-3-yl)-2,3-dihydro-1H-indole
CID 102834212
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
CID 82039135
5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole
CID 143690522

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine (CID 91561975) is 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine is CC1=C(c2ccc3c(c2)CCN3)/C=N\c2ccccc2CC1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine?
The InChIKey is CEAHFDBFJWUAIM-YQZXVLLQSA-N. The full InChI is InChI=1S/C20H20N2/c1-14-6-7-15-4-2-3-5-19(15)22-13-18(14)16-8-9-20-17(12-16)10-11-21-20/h2-5,8-9,12-13,21H,6-7,10-11H2,1H3/b18-14?,22-13-.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine?
3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine has a molecular weight of 288.39 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine is sourced from PubChem (CID 91561975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).