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

C14H13NO — CID 134960196

IUPAC(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
SMILESC=C[C@@H]1CCc2ccc3c(=O)cccc-3n21
InChIInChI=1S/C14H13NO/c1-2-10-6-7-11-8-9-12-13(15(10)11)4-3-5-14(12)16/h2-5,8-10H,1,6-7H2/t10-/m1/s1
InChIKeyXYLBJFLGJMQNDW-SNVBAGLBSA-N
MW211.26 g/mol
LogP2.63
Rot. Bonds1

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

(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one (PubChem CID 134960196) 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-6-one.

Molecular Properties

Compound Name(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
PubChem CID134960196
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
SMILESC=C[C@@H]1CCc2ccc3c(=O)cccc-3n21
InChIInChI=1S/C14H13NO/c1-2-10-6-7-11-8-9-12-13(15(10)11)4-3-5-14(12)16/h2-5,8-10H,1,6-7H2/t10-/m1/s1
InChIKeyXYLBJFLGJMQNDW-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The IUPAC name of (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one (CID 134960196) is (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one.
What is the SMILES notation for (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The canonical SMILES for (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one is C=C[C@@H]1CCc2ccc3c(=O)cccc-3n21.
What is the InChIKey of (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The InChIKey is XYLBJFLGJMQNDW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13NO/c1-2-10-6-7-11-8-9-12-13(15(10)11)4-3-5-14(12)16/h2-5,8-10H,1,6-7H2/t10-/m1/s1.
What are the key properties of (1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one?
(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-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-6-one is sourced from PubChem (CID 134960196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).