2-butan-2-yl-2,3-dihydro-1H-indole

C12H17N — CID 70399536

IUPAC2-butan-2-yl-2,3-dihydro-1H-indole
SMILESCCC(C)C1Cc2ccccc2N1
InChIInChI=1S/C12H17N/c1-3-9(2)12-8-10-6-4-5-7-11(10)13-12/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyGXMJQYVOFUYXPN-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.07
Rot. Bonds2

About 2-butan-2-yl-2,3-dihydro-1H-indole

2-butan-2-yl-2,3-dihydro-1H-indole (PubChem CID 70399536) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-butan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-butan-2-yl-2,3-dihydro-1H-indole
PubChem CID70399536
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-butan-2-yl-2,3-dihydro-1H-indole
SMILESCCC(C)C1Cc2ccccc2N1
InChIInChI=1S/C12H17N/c1-3-9(2)12-8-10-6-4-5-7-11(10)13-12/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyGXMJQYVOFUYXPN-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 2-butan-2-yl-2,3-dihydro-1H-indole (CID 70399536) is 2-butan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-butan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-butan-2-yl-2,3-dihydro-1H-indole is CCC(C)C1Cc2ccccc2N1.
What is the InChIKey of 2-butan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is GXMJQYVOFUYXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-9(2)12-8-10-6-4-5-7-11(10)13-12/h4-7,9,12-13H,3,8H2,1-2H3.
What are the key properties of 2-butan-2-yl-2,3-dihydro-1H-indole?
2-butan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 175.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 70399536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).