(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one

C15H15NO — CID 134969292

IUPAC(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
SMILESC=C[C@@H]1CCc2ccc3c(=O)ccc(C)c-3n21
InChIInChI=1S/C15H15NO/c1-3-11-5-6-12-7-8-13-14(17)9-4-10(2)15(13)16(11)12/h3-4,7-9,11H,1,5-6H2,2H3/t11-/m1/s1
InChIKeyFAKJFMMEWURHAY-LLVKDONJSA-N
MW225.29 g/mol
LogP2.93
Rot. Bonds1

About (1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one

(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one (PubChem CID 134969292) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one.

Molecular Properties

Compound Name(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
PubChem CID134969292
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
SMILESC=C[C@@H]1CCc2ccc3c(=O)ccc(C)c-3n21
InChIInChI=1S/C15H15NO/c1-3-11-5-6-12-7-8-13-14(17)9-4-10(2)15(13)16(11)12/h3-4,7-9,11H,1,5-6H2,2H3/t11-/m1/s1
InChIKeyFAKJFMMEWURHAY-LLVKDONJSA-N
XLogP2.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.93
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)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The IUPAC name of (1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one (CID 134969292) is (1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one.
What is the SMILES notation for (1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The canonical SMILES for (1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one is C=C[C@@H]1CCc2ccc3c(=O)ccc(C)c-3n21.
What is the InChIKey of (1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The InChIKey is FAKJFMMEWURHAY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-11-5-6-12-7-8-13-14(17)9-4-10(2)15(13)16(11)12/h3-4,7-9,11H,1,5-6H2,2H3/t11-/m1/s1.
What are the key properties of (1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one has a molecular weight of 225.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one is sourced from PubChem (CID 134969292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).