1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one

C13H17NO2 — CID 146669613

IUPAC1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCOCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C13H17NO2/c1-16-10-12-6-4-11(5-7-12)9-14-8-2-3-13(14)15/h4-7H,2-3,8-10H2,1H3
InChIKeyQHOMYTCHXHQKIA-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.96
Rot. Bonds4

About 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one

1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 146669613) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID146669613
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCOCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C13H17NO2/c1-16-10-12-6-4-11(5-7-12)9-14-8-2-3-13(14)15/h4-7H,2-3,8-10H2,1H3
InChIKeyQHOMYTCHXHQKIA-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylpyrrolidin-2-one;methyl formate
CID 143754063
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
2-(2-methoxyethylamino)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 119715728
(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 86906530
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 8623673
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30812015
1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
CID 58020328

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one (CID 146669613) is 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one is COCc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is QHOMYTCHXHQKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-10-12-6-4-11(5-7-12)9-14-8-2-3-13(14)15/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one?
1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 146669613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).