3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one

C17H21NO3 — CID 143301709

IUPAC3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one
SMILESCOc1ccccc1CC1C=CN(C2CCOCC2)C1=O
InChIInChI=1S/C17H21NO3/c1-20-16-5-3-2-4-13(16)12-14-6-9-18(17(14)19)15-7-10-21-11-8-15/h2-6,9,14-15H,7-8,10-12H2,1H3
InChIKeySHDNOIHBFAIJCP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds4

About 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one

3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one (PubChem CID 143301709) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one
PubChem CID143301709
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one
SMILESCOc1ccccc1CC1C=CN(C2CCOCC2)C1=O
InChIInChI=1S/C17H21NO3/c1-20-16-5-3-2-4-13(16)12-14-6-9-18(17(14)19)15-7-10-21-11-8-15/h2-6,9,14-15H,7-8,10-12H2,1H3
InChIKeySHDNOIHBFAIJCP-UHFFFAOYSA-N
XLogP2.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
(3aS,6aR)-3-[(2-methoxyphenyl)methyl]-5-(oxan-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 42566146
[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976723
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791673
4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 71935520
3-[(2-methoxyphenyl)methyl]cyclopentan-1-one
CID 64521537
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125011765
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile
CID 82086119

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one (CID 143301709) is 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one is COc1ccccc1CC1C=CN(C2CCOCC2)C1=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one?
The InChIKey is SHDNOIHBFAIJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-16-5-3-2-4-13(16)12-14-6-9-18(17(14)19)15-7-10-21-11-8-15/h2-6,9,14-15H,7-8,10-12H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one?
3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-3H-pyrrol-2-one is sourced from PubChem (CID 143301709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).