1-butyl-2,3-dihydroindole

C12H17N — CID 4167209

IUPAC1-butyl-2,3-dihydroindole
SMILESCCCCN1CCc2ccccc21
InChIInChI=1S/C12H17N/c1-2-3-9-13-10-8-11-6-4-5-7-12(11)13/h4-7H,2-3,8-10H2,1H3
InChIKeySEOOBROTBJRSHG-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.85
Rot. Bonds3

About 1-butyl-2,3-dihydroindole

1-butyl-2,3-dihydroindole (PubChem CID 4167209) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-butyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-butyl-2,3-dihydroindole
PubChem CID4167209
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-butyl-2,3-dihydroindole
SMILESCCCCN1CCc2ccccc21
InChIInChI=1S/C12H17N/c1-2-3-9-13-10-8-11-6-4-5-7-12(11)13/h4-7H,2-3,8-10H2,1H3
InChIKeySEOOBROTBJRSHG-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
CID 65257292
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
CID 115900693
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dihydroindole?
The IUPAC name of 1-butyl-2,3-dihydroindole (CID 4167209) is 1-butyl-2,3-dihydroindole.
What is the SMILES notation for 1-butyl-2,3-dihydroindole?
The canonical SMILES for 1-butyl-2,3-dihydroindole is CCCCN1CCc2ccccc21.
What is the InChIKey of 1-butyl-2,3-dihydroindole?
The InChIKey is SEOOBROTBJRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-3-9-13-10-8-11-6-4-5-7-12(11)13/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-butyl-2,3-dihydroindole?
1-butyl-2,3-dihydroindole has a molecular weight of 175.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dihydroindole is sourced from PubChem (CID 4167209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).