1-butan-2-yl-2,3-dihydroindole

C12H17N — CID 589682

IUPAC1-butan-2-yl-2,3-dihydroindole
SMILESCCC(C)N1CCc2ccccc21
InChIInChI=1S/C12H17N/c1-3-10(2)13-9-8-11-6-4-5-7-12(11)13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyKQIOVDVVDBJGQW-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.85
Rot. Bonds2

About 1-butan-2-yl-2,3-dihydroindole

1-butan-2-yl-2,3-dihydroindole (PubChem CID 589682) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-butan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-butan-2-yl-2,3-dihydroindole
PubChem CID589682
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-butan-2-yl-2,3-dihydroindole
SMILESCCC(C)N1CCc2ccccc21
InChIInChI=1S/C12H17N/c1-3-10(2)13-9-8-11-6-4-5-7-12(11)13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyKQIOVDVVDBJGQW-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,3-dihydroindole?
The IUPAC name of 1-butan-2-yl-2,3-dihydroindole (CID 589682) is 1-butan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 1-butan-2-yl-2,3-dihydroindole?
The canonical SMILES for 1-butan-2-yl-2,3-dihydroindole is CCC(C)N1CCc2ccccc21.
What is the InChIKey of 1-butan-2-yl-2,3-dihydroindole?
The InChIKey is KQIOVDVVDBJGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-10(2)13-9-8-11-6-4-5-7-12(11)13/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-butan-2-yl-2,3-dihydroindole?
1-butan-2-yl-2,3-dihydroindole has a molecular weight of 175.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 589682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).