3-tert-butyl-5,6-dihydro-4H-indole

C12H17N — CID 10035114

IUPAC3-tert-butyl-5,6-dihydro-4H-indole
SMILESCC(C)(C)C1=C2CCCC=C2N=C1
InChIInChI=1S/C12H17N/c1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h7-8H,4-6H2,1-3H3
InChIKeyFOQRSDROHURZFY-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.48
Rot. Bonds

About 3-tert-butyl-5,6-dihydro-4H-indole

3-tert-butyl-5,6-dihydro-4H-indole (PubChem CID 10035114) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-tert-butyl-5,6-dihydro-4H-indole.

Molecular Properties

Compound Name3-tert-butyl-5,6-dihydro-4H-indole
PubChem CID10035114
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-tert-butyl-5,6-dihydro-4H-indole
SMILESCC(C)(C)C1=C2CCCC=C2N=C1
InChIInChI=1S/C12H17N/c1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h7-8H,4-6H2,1-3H3
InChIKeyFOQRSDROHURZFY-UHFFFAOYSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dipropylcyclopenta[b]pyrrole
CID 21095412
3,4,5-Triethylcyclopenta[b]pyrrole
CID 21095831
3,4,5-Tripropylcyclopenta[b]pyrrole
CID 21095880
5,6-dihydro-4H-indole
CID 57227928
5-tert-butyl-4H-indol-6-amine
CID 67269998
3,4-dimethylidene-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 91608823
3,3-Dimethyl-4,5-dihydroindole
CID 123231392
3-Tert-butyl-4,6-dihydroindol-5-imine
CID 123975434
3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine
CID 129295409
(5Z,6E)-3,3-dimethyl-6-[(Z)-pent-2-enylidene]-5-propylidene-4H-pyridine
CID 144387326
2-methyl-N-[1-(2-propan-2-ylcyclohexa-1,3-dien-1-yl)ethenyl]prop-2-en-1-imine
CID 144815807
N-[(1Z)-1-[(2E)-2-ethylidene-5-methylidene-3-(methylideneamino)-4-(methyliminomethyl)cyclopent-3-en-1-ylidene]ethyl]ethanimine
CID 146436776

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6-dihydro-4H-indole?
The IUPAC name of 3-tert-butyl-5,6-dihydro-4H-indole (CID 10035114) is 3-tert-butyl-5,6-dihydro-4H-indole.
What is the SMILES notation for 3-tert-butyl-5,6-dihydro-4H-indole?
The canonical SMILES for 3-tert-butyl-5,6-dihydro-4H-indole is CC(C)(C)C1=C2CCCC=C2N=C1.
What is the InChIKey of 3-tert-butyl-5,6-dihydro-4H-indole?
The InChIKey is FOQRSDROHURZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-5,6-dihydro-4H-indole?
3-tert-butyl-5,6-dihydro-4H-indole has a molecular weight of 175.28 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6-dihydro-4H-indole is sourced from PubChem (CID 10035114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).