benzyl propanoate;3,4-dihydro-1H-quinolin-2-one

C19H21NO3 — CID 70445748

IUPACbenzyl propanoate;3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)OCc1ccccc1.O=C1CCc2ccccc2N1
InChIInChI=1S/C10H12O2.C9H9NO/c1-2-10(11)12-8-9-6-4-3-5-7-9;11-9-6-5-7-3-1-2-4-8(7)10-9/h3-7H,2,8H2,1H3;1-4H,5-6H2,(H,10,11)
InChIKeyWFSVFUVBZQXMMB-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.71
Rot. Bonds3

About benzyl propanoate;3,4-dihydro-1H-quinolin-2-one

benzyl propanoate;3,4-dihydro-1H-quinolin-2-one (PubChem CID 70445748) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl propanoate;3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Namebenzyl propanoate;3,4-dihydro-1H-quinolin-2-one
PubChem CID70445748
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl propanoate;3,4-dihydro-1H-quinolin-2-one
SMILESCCC(=O)OCc1ccccc1.O=C1CCc2ccccc2N1
InChIInChI=1S/C10H12O2.C9H9NO/c1-2-10(11)12-8-9-6-4-3-5-7-9;11-9-6-5-7-3-1-2-4-8(7)10-9/h3-7H,2,8H2,1H3;1-4H,5-6H2,(H,10,11)
InChIKeyWFSVFUVBZQXMMB-UHFFFAOYSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl propanoate;hydrochloride
CID 140986165
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one
CID 175542045
3,4-dihydro-1H-quinolin-2-one;methanesulfonic acid
CID 21248382
benzyl propanoate;butyl propanoate
CID 19966788
benzyl propanoate;methyl benzoate
CID 70307580
benzyl 4-propanoyloxybutanoate
CID 163613543
benzyl carbamate;piperidine-2,6-dione
CID 174491425
(3-phenylphenyl)methyl propanoate
CID 67574989
ethane;1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 91147283
benzyl butanoate;propanoic acid
CID 175271849
benzyl 3,4-dimethylhexanoate
CID 123356915

Frequently Asked Questions

What is the IUPAC name of benzyl propanoate;3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of benzyl propanoate;3,4-dihydro-1H-quinolin-2-one (CID 70445748) is benzyl propanoate;3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for benzyl propanoate;3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for benzyl propanoate;3,4-dihydro-1H-quinolin-2-one is CCC(=O)OCc1ccccc1.O=C1CCc2ccccc2N1.
What is the InChIKey of benzyl propanoate;3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WFSVFUVBZQXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H9NO/c1-2-10(11)12-8-9-6-4-3-5-7-9;11-9-6-5-7-3-1-2-4-8(7)10-9/h3-7H,2,8H2,1H3;1-4H,5-6H2,(H,10,11).
What are the key properties of benzyl propanoate;3,4-dihydro-1H-quinolin-2-one?
benzyl propanoate;3,4-dihydro-1H-quinolin-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl propanoate;3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70445748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).