5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one

C19H19NO — CID 134971479

IUPAC5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one
SMILESCC1(c2ccccc2)CC2CCC(=O)N2c2ccccc21
InChIInChI=1S/C19H19NO/c1-19(14-7-3-2-4-8-14)13-15-11-12-18(21)20(15)17-10-6-5-9-16(17)19/h2-10,15H,11-13H2,1H3
InChIKeyGDNRENYHJXKZSG-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.89
Rot. Bonds1

About 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one

5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one (PubChem CID 134971479) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one.

Molecular Properties

Compound Name5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one
PubChem CID134971479
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one
SMILESCC1(c2ccccc2)CC2CCC(=O)N2c2ccccc21
InChIInChI=1S/C19H19NO/c1-19(14-7-3-2-4-8-14)13-15-11-12-18(21)20(15)17-10-6-5-9-16(17)19/h2-10,15H,11-13H2,1H3
InChIKeyGDNRENYHJXKZSG-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one?
The IUPAC name of 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one (CID 134971479) is 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one.
What is the SMILES notation for 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one?
The canonical SMILES for 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one is CC1(c2ccccc2)CC2CCC(=O)N2c2ccccc21.
What is the InChIKey of 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one?
The InChIKey is GDNRENYHJXKZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(14-7-3-2-4-8-14)13-15-11-12-18(21)20(15)17-10-6-5-9-16(17)19/h2-10,15H,11-13H2,1H3.
What are the key properties of 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one?
5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one has a molecular weight of 277.37 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-phenyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinolin-1-one is sourced from PubChem (CID 134971479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).