2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one

C16H23NO2 — CID 64598997

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N1CCC(COC)C1
InChIInChI=1S/C16H23NO2/c1-3-15(16(18)14-7-5-4-6-8-14)17-10-9-13(11-17)12-19-2/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyYJVHFIMOYZTRHS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.62
Rot. Bonds6

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

2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one (PubChem CID 64598997) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
PubChem CID64598997
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N1CCC(COC)C1
InChIInChI=1S/C16H23NO2/c1-3-15(16(18)14-7-5-4-6-8-14)17-10-9-13(11-17)12-19-2/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyYJVHFIMOYZTRHS-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 62062745
1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
CID 63567919
2-(3,4-dimethylpiperazin-1-yl)-1-phenylbutan-1-one
CID 55215618
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylbutan-1-one
CID 79943730
2-(4-ethyl-3-methylpiperazin-1-yl)-1-phenylbutan-1-one
CID 63611147
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
1-phenyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114538592
2-(1-oxo-1-phenylbutan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856385
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 64660664
2-[1-[4-(methoxymethyl)piperidin-1-yl]propyl]phenol
CID 82980997

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one (CID 64598997) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one is CCC(C(=O)c1ccccc1)N1CCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one?
The InChIKey is YJVHFIMOYZTRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-15(16(18)14-7-5-4-6-8-14)17-10-9-13(11-17)12-19-2/h4-8,13,15H,3,9-12H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one is sourced from PubChem (CID 64598997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).