1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one

C12H15NO2 — CID 58826741

IUPAC1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
SMILESCOCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C12H15NO2/c1-15-9-10-4-2-5-11(8-10)13-7-3-6-12(13)14/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyMYQSHXWVLVJXQD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.96
Rot. Bonds3

About 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one

1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one (PubChem CID 58826741) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
PubChem CID58826741
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
SMILESCOCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C12H15NO2/c1-15-9-10-4-2-5-11(8-10)13-7-3-6-12(13)14/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyMYQSHXWVLVJXQD-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
N-[3-(methoxymethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32637877
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
N-[2-[1-(methoxymethyl)cyclobutyl]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 125143847
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120970003

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one (CID 58826741) is 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one is COCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one?
The InChIKey is MYQSHXWVLVJXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-9-10-4-2-5-11(8-10)13-7-3-6-12(13)14/h2,4-5,8H,3,6-7,9H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one?
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 58826741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).