1-[(2S)-butan-2-yl]indole

C12H15N — CID 124507288

IUPAC1-[(2S)-butan-2-yl]indole
SMILESCC[C@H](C)n1ccc2ccccc21
InChIInChI=1S/C12H15N/c1-3-10(2)13-9-8-11-6-4-5-7-12(11)13/h4-10H,3H2,1-2H3/t10-/m0/s1
InChIKeyREFAGUAQASDZDK-JTQLQIEISA-N
MW173.26 g/mol
LogP3.61
Rot. Bonds2

About 1-[(2S)-butan-2-yl]indole

1-[(2S)-butan-2-yl]indole (PubChem CID 124507288) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]indole.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]indole
PubChem CID124507288
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-[(2S)-butan-2-yl]indole
SMILESCC[C@H](C)n1ccc2ccccc21
InChIInChI=1S/C12H15N/c1-3-10(2)13-9-8-11-6-4-5-7-12(11)13/h4-10H,3H2,1-2H3/t10-/m0/s1
InChIKeyREFAGUAQASDZDK-JTQLQIEISA-N
XLogP3.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-butan-2-yl-2-methylpyrrole
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1-ethylindole;propane
CID 91144409
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]indole?
The IUPAC name of 1-[(2S)-butan-2-yl]indole (CID 124507288) is 1-[(2S)-butan-2-yl]indole.
What is the SMILES notation for 1-[(2S)-butan-2-yl]indole?
The canonical SMILES for 1-[(2S)-butan-2-yl]indole is CC[C@H](C)n1ccc2ccccc21.
What is the InChIKey of 1-[(2S)-butan-2-yl]indole?
The InChIKey is REFAGUAQASDZDK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N/c1-3-10(2)13-9-8-11-6-4-5-7-12(11)13/h4-10H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]indole?
1-[(2S)-butan-2-yl]indole has a molecular weight of 173.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]indole is sourced from PubChem (CID 124507288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).