7,7a-dihydro-3H-indole

C8H9N — CID 91394857

IUPAC7,7a-dihydro-3H-indole
SMILESC1=CCC2N=CCC2=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-3,6,8H,4-5H2
InChIKeyOYIVFKJLRASNNI-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.72
Rot. Bonds

About 7,7a-dihydro-3H-indole

7,7a-dihydro-3H-indole (PubChem CID 91394857) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 7,7a-dihydro-3H-indole.

Molecular Properties

Compound Name7,7a-dihydro-3H-indole
PubChem CID91394857
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name7,7a-dihydro-3H-indole
SMILESC1=CCC2N=CCC2=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-3,6,8H,4-5H2
InChIKeyOYIVFKJLRASNNI-UHFFFAOYSA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7aH-indole
CID 20614426
Diethylideneaniline
CID 70417807
3,5,6,8a-Tetrahydroquinoline
CID 90716025
Bis-propylideneaniline
CID 129791915
6-Cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
CID 91482385
4,5-Dihydroindenopyridine
CID 129783754
7aH-cyclopenta[b]pyridine
CID 16685899
1H-indeno[1,2-c]pyridine
CID 17967584
N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 18293350
6,7-dihydro-2H-cyclopenta[b]pyridine
CID 19100511
1H-Cyclopenta[C]pyridine
CID 20059250
1,4,5,6-Tetrahydrocyclopenta[e]indole
CID 21423164

Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-3H-indole?
The IUPAC name of 7,7a-dihydro-3H-indole (CID 91394857) is 7,7a-dihydro-3H-indole.
What is the SMILES notation for 7,7a-dihydro-3H-indole?
The canonical SMILES for 7,7a-dihydro-3H-indole is C1=CCC2N=CCC2=C1.
What is the InChIKey of 7,7a-dihydro-3H-indole?
The InChIKey is OYIVFKJLRASNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-3,6,8H,4-5H2.
What are the key properties of 7,7a-dihydro-3H-indole?
7,7a-dihydro-3H-indole has a molecular weight of 119.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-3H-indole is sourced from PubChem (CID 91394857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).