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

C19H21NO — CID 134960675

IUPAC(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
SMILESC=C[C@@H]1CCc2ccc3cc(/C=C/CCC)c(=O)cc-3n21
InChIInChI=1S/C19H21NO/c1-3-5-6-7-15-12-14-8-9-17-11-10-16(4-2)20(17)18(14)13-19(15)21/h4,6-9,12-13,16H,2-3,5,10-11H2,1H3/b7-6+/t16-/m1/s1
InChIKeyMSVBRKBTNZXGMS-FYCOFBDGSA-N
MW279.38 g/mol
LogP4.44
Rot. Bonds4

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

(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one (PubChem CID 134960675) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one.

Molecular Properties

Compound Name(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
PubChem CID134960675
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
SMILESC=C[C@@H]1CCc2ccc3cc(/C=C/CCC)c(=O)cc-3n21
InChIInChI=1S/C19H21NO/c1-3-5-6-7-15-12-14-8-9-17-11-10-16(4-2)20(17)18(14)13-19(15)21/h4,6-9,12-13,16H,2-3,5,10-11H2,1H3/b7-6+/t16-/m1/s1
InChIKeyMSVBRKBTNZXGMS-FYCOFBDGSA-N
XLogP4.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.44
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-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
The IUPAC name of (1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one (CID 134960675) is (1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one.
What is the SMILES notation for (1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
The canonical SMILES for (1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one is C=C[C@@H]1CCc2ccc3cc(/C=C/CCC)c(=O)cc-3n21.
What is the InChIKey of (1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
The InChIKey is MSVBRKBTNZXGMS-FYCOFBDGSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-5-6-7-15-12-14-8-9-17-11-10-16(4-2)20(17)18(14)13-19(15)21/h4,6-9,12-13,16H,2-3,5,10-11H2,1H3/b7-6+/t16-/m1/s1.
What are the key properties of (1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one?
(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one has a molecular weight of 279.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one is sourced from PubChem (CID 134960675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).