4-(3-phenylpropyl)-4H-oxazin-3-one

C13H15NO2 — CID 141089086

IUPAC4-(3-phenylpropyl)-4H-oxazin-3-one
SMILESO=C1NOC=CC1CCCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13-12(9-10-16-14-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2,(H,14,15)
InChIKeyBDHYUBPNTYTTSR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.20
Rot. Bonds4

About 4-(3-phenylpropyl)-4H-oxazin-3-one

4-(3-phenylpropyl)-4H-oxazin-3-one (PubChem CID 141089086) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(3-phenylpropyl)-4H-oxazin-3-one.

Molecular Properties

Compound Name4-(3-phenylpropyl)-4H-oxazin-3-one
PubChem CID141089086
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-(3-phenylpropyl)-4H-oxazin-3-one
SMILESO=C1NOC=CC1CCCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13-12(9-10-16-14-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2,(H,14,15)
InChIKeyBDHYUBPNTYTTSR-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylbutylbenzene
CID 141301927
(2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one
CID 11195903
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
CID 69066807
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
(3S)-3-(4-phenylbutyl)piperazine-2,5-dione
CID 69365417
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
4-(4-phenylbutyl)cyclohexan-1-one
CID 147953036
4-cyclopropylbutylbenzene
CID 10261592
pentylbenzene
CID 91255123

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropyl)-4H-oxazin-3-one?
The IUPAC name of 4-(3-phenylpropyl)-4H-oxazin-3-one (CID 141089086) is 4-(3-phenylpropyl)-4H-oxazin-3-one.
What is the SMILES notation for 4-(3-phenylpropyl)-4H-oxazin-3-one?
The canonical SMILES for 4-(3-phenylpropyl)-4H-oxazin-3-one is O=C1NOC=CC1CCCc1ccccc1.
What is the InChIKey of 4-(3-phenylpropyl)-4H-oxazin-3-one?
The InChIKey is BDHYUBPNTYTTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13-12(9-10-16-14-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2,(H,14,15).
What are the key properties of 4-(3-phenylpropyl)-4H-oxazin-3-one?
4-(3-phenylpropyl)-4H-oxazin-3-one has a molecular weight of 217.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropyl)-4H-oxazin-3-one is sourced from PubChem (CID 141089086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).