4,5,6,7-tetrahydro-3aH-indole

C8H11N — CID 20614425

IUPAC4,5,6,7-tetrahydro-3aH-indole
SMILESC1=CC2CCCCC2=N1
InChIInChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-7H,1-4H2
InChIKeyNDRYGFLPJIMCGA-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.14
Rot. Bonds

About 4,5,6,7-tetrahydro-3aH-indole

4,5,6,7-tetrahydro-3aH-indole (PubChem CID 20614425) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-3aH-indole.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-3aH-indole
PubChem CID20614425
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4,5,6,7-tetrahydro-3aH-indole
SMILESC1=CC2CCCCC2=N1
InChIInChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-7H,1-4H2
InChIKeyNDRYGFLPJIMCGA-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Azabicyclo[4.3.1]decadiene
CID 129815785
Azabicyclo[3.2.1]octadiene
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2-methyl-3-propyl-3H-pyrrole
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2-butan-2-yl-3H-pyrrole
CID 58559892
3-methyl-2-propan-2-yl-3H-pyrrole
CID 58564369
2-(2-methylpropyl)-3H-pyrrole
CID 59447839
(4S)-2-ethyl-4-methyl-3,4-dihydropyridine
CID 89163833
N-[(Z)-but-1-enyl]-2-methylcyclohexan-1-imine
CID 89200155
2,3-di(propan-2-yl)-3H-pyrrole
CID 89447260
4,4a,5,6,7,8-Hexahydroquinoline
CID 126714288
2,3-Di(propan-2-yl)-3,4-dihydropyridine
CID 129014324

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-3aH-indole?
The IUPAC name of 4,5,6,7-tetrahydro-3aH-indole (CID 20614425) is 4,5,6,7-tetrahydro-3aH-indole.
What is the SMILES notation for 4,5,6,7-tetrahydro-3aH-indole?
The canonical SMILES for 4,5,6,7-tetrahydro-3aH-indole is C1=CC2CCCCC2=N1.
What is the InChIKey of 4,5,6,7-tetrahydro-3aH-indole?
The InChIKey is NDRYGFLPJIMCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-7H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydro-3aH-indole?
4,5,6,7-tetrahydro-3aH-indole has a molecular weight of 121.18 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-3aH-indole is sourced from PubChem (CID 20614425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).