3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole

C13H19N — CID 90089476

IUPAC3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole
SMILESC/C=C\C1NC2=CCCC=C2C1CC
InChIInChI=1S/C13H19N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h3,7-10,12,14H,4-6H2,1-2H3/b7-3-
InChIKeyCSUUOPBLNZEZHN-CLTKARDFSA-N
MW189.30 g/mol
LogP3.16
Rot. Bonds2

About 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole

3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole (PubChem CID 90089476) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole.

Molecular Properties

Compound Name3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole
PubChem CID90089476
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole
SMILESC/C=C\C1NC2=CCCC=C2C1CC
InChIInChI=1S/C13H19N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h3,7-10,12,14H,4-6H2,1-2H3/b7-3-
InChIKeyCSUUOPBLNZEZHN-CLTKARDFSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.16
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 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole?
The IUPAC name of 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole (CID 90089476) is 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole.
What is the SMILES notation for 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole?
The canonical SMILES for 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole is C/C=C\C1NC2=CCCC=C2C1CC.
What is the InChIKey of 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole?
The InChIKey is CSUUOPBLNZEZHN-CLTKARDFSA-N. The full InChI is InChI=1S/C13H19N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h3,7-10,12,14H,4-6H2,1-2H3/b7-3-.
What are the key properties of 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole?
3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole has a molecular weight of 189.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(Z)-prop-1-enyl]-2,3,5,6-tetrahydro-1H-indole is sourced from PubChem (CID 90089476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).