5-methylidene-1,3a,4,6,7,7a-hexahydroindole

C9H13N — CID 91119686

IUPAC5-methylidene-1,3a,4,6,7,7a-hexahydroindole
SMILESC=C1CCC2NC=CC2C1
InChIInChI=1S/C9H13N/c1-7-2-3-9-8(6-7)4-5-10-9/h4-5,8-10H,1-3,6H2
InChIKeyGCJNQJJDESXUMZ-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.83
Rot. Bonds

About 5-methylidene-1,3a,4,6,7,7a-hexahydroindole

5-methylidene-1,3a,4,6,7,7a-hexahydroindole (PubChem CID 91119686) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-methylidene-1,3a,4,6,7,7a-hexahydroindole.

Molecular Properties

Compound Name5-methylidene-1,3a,4,6,7,7a-hexahydroindole
PubChem CID91119686
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-methylidene-1,3a,4,6,7,7a-hexahydroindole
SMILESC=C1CCC2NC=CC2C1
InChIInChI=1S/C9H13N/c1-7-2-3-9-8(6-7)4-5-10-9/h4-5,8-10H,1-3,6H2
InChIKeyGCJNQJJDESXUMZ-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,3a,4,6,7,7a-hexahydroindole?
The IUPAC name of 5-methylidene-1,3a,4,6,7,7a-hexahydroindole (CID 91119686) is 5-methylidene-1,3a,4,6,7,7a-hexahydroindole.
What is the SMILES notation for 5-methylidene-1,3a,4,6,7,7a-hexahydroindole?
The canonical SMILES for 5-methylidene-1,3a,4,6,7,7a-hexahydroindole is C=C1CCC2NC=CC2C1.
What is the InChIKey of 5-methylidene-1,3a,4,6,7,7a-hexahydroindole?
The InChIKey is GCJNQJJDESXUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-2-3-9-8(6-7)4-5-10-9/h4-5,8-10H,1-3,6H2.
What are the key properties of 5-methylidene-1,3a,4,6,7,7a-hexahydroindole?
5-methylidene-1,3a,4,6,7,7a-hexahydroindole has a molecular weight of 135.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,3a,4,6,7,7a-hexahydroindole is sourced from PubChem (CID 91119686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).