4-prop-1-enyl-1H-indole

C11H11N — CID 77378608

IUPAC4-prop-1-enyl-1H-indole
SMILESCC=Cc1cccc2[nH]ccc12
InChIInChI=1S/C11H11N/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h2-8,12H,1H3
InChIKeyOPCNVMQEMTUIFB-UHFFFAOYSA-N
MW157.22 g/mol
LogP3.20
Rot. Bonds1

About 4-prop-1-enyl-1H-indole

4-prop-1-enyl-1H-indole (PubChem CID 77378608) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-prop-1-enyl-1H-indole.

Molecular Properties

Compound Name4-prop-1-enyl-1H-indole
PubChem CID77378608
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name4-prop-1-enyl-1H-indole
SMILESCC=Cc1cccc2[nH]ccc12
InChIInChI=1S/C11H11N/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h2-8,12H,1H3
InChIKeyOPCNVMQEMTUIFB-UHFFFAOYSA-N
XLogP3.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enyl-1H-indole?
The IUPAC name of 4-prop-1-enyl-1H-indole (CID 77378608) is 4-prop-1-enyl-1H-indole.
What is the SMILES notation for 4-prop-1-enyl-1H-indole?
The canonical SMILES for 4-prop-1-enyl-1H-indole is CC=Cc1cccc2[nH]ccc12.
What is the InChIKey of 4-prop-1-enyl-1H-indole?
The InChIKey is OPCNVMQEMTUIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h2-8,12H,1H3.
What are the key properties of 4-prop-1-enyl-1H-indole?
4-prop-1-enyl-1H-indole has a molecular weight of 157.22 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enyl-1H-indole is sourced from PubChem (CID 77378608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).