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

C14H13NO — CID 134960516

IUPAC(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
SMILESC=C[C@@H]1CCc2ccc3ccc(=O)cc-3n21
InChIInChI=1S/C14H13NO/c1-2-11-6-7-12-5-3-10-4-8-13(16)9-14(10)15(11)12/h2-5,8-9,11H,1,6-7H2/t11-/m1/s1
InChIKeyKQXDZMUFYRGDIA-LLVKDONJSA-N
MW211.26 g/mol
LogP2.63
Rot. Bonds1

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

(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one (PubChem CID 134960516) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one.

Molecular Properties

Compound Name(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
PubChem CID134960516
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
SMILESC=C[C@@H]1CCc2ccc3ccc(=O)cc-3n21
InChIInChI=1S/C14H13NO/c1-2-11-6-7-12-5-3-10-4-8-13(16)9-14(10)15(11)12/h2-5,8-9,11H,1,6-7H2/t11-/m1/s1
InChIKeyKQXDZMUFYRGDIA-LLVKDONJSA-N
XLogP2.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-ethenyl-8-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 134960464
1-fluoro-2-methyl-3,5-dihydro-2H-indol-6-one
CID 161999147
2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 72810081
1-(5-Methyl-1,2,3,8a-tetrahydroindolizin-6-yl)ethanone
CID 91664957
(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 134960196
(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
CID 134960675
(1S)-7-bromo-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
CID 134960676
(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 134969292
2-Methylidene-3,8a-dihydroindolizin-1-one
CID 20244555
2,3-Dihydropyrrolo[1,2-f]phenanthridine-1,6-dione
CID 20445402
CID 59094608
CID 59094608
1-(1,2,3,5-Tetrahydroindolizin-8-yl)ethanone
CID 67592264

Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
The IUPAC name of (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one (CID 134960516) is (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one.
What is the SMILES notation for (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
The canonical SMILES for (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one is C=C[C@@H]1CCc2ccc3ccc(=O)cc-3n21.
What is the InChIKey of (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
The InChIKey is KQXDZMUFYRGDIA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H13NO/c1-2-11-6-7-12-5-3-10-4-8-13(16)9-14(10)15(11)12/h2-5,8-9,11H,1,6-7H2/t11-/m1/s1.
What are the key properties of (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one has a molecular weight of 211.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one is sourced from PubChem (CID 134960516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).