1-(3-bromoprop-1-en-2-yl)indolizine

C11H10BrN — CID 169203383

IUPAC1-(3-bromoprop-1-en-2-yl)indolizine
SMILESC=C(CBr)c1ccn2ccccc12
InChIInChI=1S/C11H10BrN/c1-9(8-12)10-5-7-13-6-3-2-4-11(10)13/h2-7H,1,8H2
InChIKeyFOWBPZMCYXGWRK-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.35
Rot. Bonds2

About 1-(3-bromoprop-1-en-2-yl)indolizine

1-(3-bromoprop-1-en-2-yl)indolizine (PubChem CID 169203383) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 1-(3-bromoprop-1-en-2-yl)indolizine.

Molecular Properties

Compound Name1-(3-bromoprop-1-en-2-yl)indolizine
PubChem CID169203383
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name1-(3-bromoprop-1-en-2-yl)indolizine
SMILESC=C(CBr)c1ccn2ccccc12
InChIInChI=1S/C11H10BrN/c1-9(8-12)10-5-7-13-6-3-2-4-11(10)13/h2-7H,1,8H2
InChIKeyFOWBPZMCYXGWRK-UHFFFAOYSA-N
XLogP3.35
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methylindolizine-1-carboxamide
CID 102037837
2-amino-1-indolizin-1-ylethanol
CID 169203364
1,1'-biphenyl;indolizin-1-ol
CID 22905672
1H-azepin-2-yl(indolizin-1-yl)methanone
CID 174595387
3-indolizin-1-ylpropanoic acid
CID 70438951
indolizin-1-ylmethanol;pyridine
CID 174415152
N,N-diethyl-2-indolizin-1-ylethanamine
CID 169203234
CID 136846530
CID 136846530
1-bromo-2-fluoroindolizine
CID 57486385
indolizin-8-ylmethanol
CID 134862456
1-bromoimidazo[1,5-a]pyridine;ethane
CID 144796494
2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid
CID 175928766

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-1-en-2-yl)indolizine?
The IUPAC name of 1-(3-bromoprop-1-en-2-yl)indolizine (CID 169203383) is 1-(3-bromoprop-1-en-2-yl)indolizine.
What is the SMILES notation for 1-(3-bromoprop-1-en-2-yl)indolizine?
The canonical SMILES for 1-(3-bromoprop-1-en-2-yl)indolizine is C=C(CBr)c1ccn2ccccc12.
What is the InChIKey of 1-(3-bromoprop-1-en-2-yl)indolizine?
The InChIKey is FOWBPZMCYXGWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-9(8-12)10-5-7-13-6-3-2-4-11(10)13/h2-7H,1,8H2.
What are the key properties of 1-(3-bromoprop-1-en-2-yl)indolizine?
1-(3-bromoprop-1-en-2-yl)indolizine has a molecular weight of 236.11 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-1-en-2-yl)indolizine is sourced from PubChem (CID 169203383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).