1-ethenyl-2,3,3a,4-tetrahydroindole

C10H13N — CID 66971852

IUPAC1-ethenyl-2,3,3a,4-tetrahydroindole
SMILESC=CN1CCC2CC=CC=C21
InChIInChI=1S/C10H13N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h2-4,6,9H,1,5,7-8H2
InChIKeyRBDKFUPLQQVSSN-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.30
Rot. Bonds1

About 1-ethenyl-2,3,3a,4-tetrahydroindole

1-ethenyl-2,3,3a,4-tetrahydroindole (PubChem CID 66971852) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-ethenyl-2,3,3a,4-tetrahydroindole.

Molecular Properties

Compound Name1-ethenyl-2,3,3a,4-tetrahydroindole
PubChem CID66971852
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-ethenyl-2,3,3a,4-tetrahydroindole
SMILESC=CN1CCC2CC=CC=C21
InChIInChI=1S/C10H13N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h2-4,6,9H,1,5,7-8H2
InChIKeyRBDKFUPLQQVSSN-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3,3a,4-tetrahydroindole?
The IUPAC name of 1-ethenyl-2,3,3a,4-tetrahydroindole (CID 66971852) is 1-ethenyl-2,3,3a,4-tetrahydroindole.
What is the SMILES notation for 1-ethenyl-2,3,3a,4-tetrahydroindole?
The canonical SMILES for 1-ethenyl-2,3,3a,4-tetrahydroindole is C=CN1CCC2CC=CC=C21.
What is the InChIKey of 1-ethenyl-2,3,3a,4-tetrahydroindole?
The InChIKey is RBDKFUPLQQVSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h2-4,6,9H,1,5,7-8H2.
What are the key properties of 1-ethenyl-2,3,3a,4-tetrahydroindole?
1-ethenyl-2,3,3a,4-tetrahydroindole has a molecular weight of 147.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3,3a,4-tetrahydroindole is sourced from PubChem (CID 66971852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).