(1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one

C14H12BrNO — CID 134960676

IUPAC(1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
SMILESC=C[C@@H]1CCc2ccc3cc(Br)c(=O)cc-3n21
InChIInChI=1S/C14H12BrNO/c1-2-10-5-6-11-4-3-9-7-12(15)14(17)8-13(9)16(10)11/h2-4,7-8,10H,1,5-6H2/t10-/m1/s1
InChIKeyHFXCMRXKSIFPIT-SNVBAGLBSA-N
MW290.16 g/mol
LogP3.39
Rot. Bonds1

About (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one

(1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one (PubChem CID 134960676) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one.

Molecular Properties

Compound Name(1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
PubChem CID134960676
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name(1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
SMILESC=C[C@@H]1CCc2ccc3cc(Br)c(=O)cc-3n21
InChIInChI=1S/C14H12BrNO/c1-2-10-5-6-11-4-3-9-7-12(15)14(17)8-13(9)16(10)11/h2-4,7-8,10H,1,5-6H2/t10-/m1/s1
InChIKeyHFXCMRXKSIFPIT-SNVBAGLBSA-N
XLogP3.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
The IUPAC name of (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one (CID 134960676) is (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one.
What is the SMILES notation for (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
The canonical SMILES for (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one is C=C[C@@H]1CCc2ccc3cc(Br)c(=O)cc-3n21.
What is the InChIKey of (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
The InChIKey is HFXCMRXKSIFPIT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-2-10-5-6-11-4-3-9-7-12(15)14(17)8-13(9)16(10)11/h2-4,7-8,10H,1,5-6H2/t10-/m1/s1.
What are the key properties of (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
(1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one has a molecular weight of 290.16 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one is sourced from PubChem (CID 134960676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).