7-bromo-1-[(E)-prop-1-enyl]indole

C11H10BrN — CID 119094801

IUPAC7-bromo-1-[(E)-prop-1-enyl]indole
SMILESC/C=C/n1ccc2cccc(Br)c21
InChIInChI=1S/C11H10BrN/c1-2-7-13-8-6-9-4-3-5-10(12)11(9)13/h2-8H,1H3/b7-2+
InChIKeyDUJLEIOPDUCXEN-FARCUNLSSA-N
MW236.11 g/mol
LogP3.89
Rot. Bonds1

About 7-bromo-1-[(E)-prop-1-enyl]indole

7-bromo-1-[(E)-prop-1-enyl]indole (PubChem CID 119094801) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 7-bromo-1-[(E)-prop-1-enyl]indole.

Molecular Properties

Compound Name7-bromo-1-[(E)-prop-1-enyl]indole
PubChem CID119094801
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name7-bromo-1-[(E)-prop-1-enyl]indole
SMILESC/C=C/n1ccc2cccc(Br)c21
InChIInChI=1S/C11H10BrN/c1-2-7-13-8-6-9-4-3-5-10(12)11(9)13/h2-8H,1H3/b7-2+
InChIKeyDUJLEIOPDUCXEN-FARCUNLSSA-N
XLogP3.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(E)-prop-1-enyl]indole?
The IUPAC name of 7-bromo-1-[(E)-prop-1-enyl]indole (CID 119094801) is 7-bromo-1-[(E)-prop-1-enyl]indole.
What is the SMILES notation for 7-bromo-1-[(E)-prop-1-enyl]indole?
The canonical SMILES for 7-bromo-1-[(E)-prop-1-enyl]indole is C/C=C/n1ccc2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-[(E)-prop-1-enyl]indole?
The InChIKey is DUJLEIOPDUCXEN-FARCUNLSSA-N. The full InChI is InChI=1S/C11H10BrN/c1-2-7-13-8-6-9-4-3-5-10(12)11(9)13/h2-8H,1H3/b7-2+.
What are the key properties of 7-bromo-1-[(E)-prop-1-enyl]indole?
7-bromo-1-[(E)-prop-1-enyl]indole has a molecular weight of 236.11 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(E)-prop-1-enyl]indole is sourced from PubChem (CID 119094801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).