1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone

C14H19NO — CID 105471558

IUPAC1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CC2CCN(C)C2)c1
InChIInChI=1S/C14H19NO/c1-11(16)14-5-3-4-12(9-14)8-13-6-7-15(2)10-13/h3-5,9,13H,6-8,10H2,1-2H3
InChIKeyPWMPIDMRNBAYDA-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.38
Rot. Bonds3

About 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone

1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone (PubChem CID 105471558) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone
PubChem CID105471558
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CC2CCN(C)C2)c1
InChIInChI=1S/C14H19NO/c1-11(16)14-5-3-4-12(9-14)8-13-6-7-15(2)10-13/h3-5,9,13H,6-8,10H2,1-2H3
InChIKeyPWMPIDMRNBAYDA-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclobutylmethyl)phenyl]ethanone
CID 115017585
3-[[(3S)-1-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95729628
3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63274742
1-[3-(thian-3-ylmethyl)phenyl]ethanone
CID 105495401
3-[[(3R)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 97121773
1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157265022
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
3-[(1-butanoylpyrrolidin-3-yl)methyl]benzoic acid
CID 56904595
1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
CID 58138677
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
3-[[1-[3-(dimethylsulfamoyl)propyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 72896647
3-[(1-methylpyrrolidin-3-yl)methylsulfamoylmethyl]benzenecarbothioamide
CID 61000146

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone (CID 105471558) is 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone is CC(=O)c1cccc(CC2CCN(C)C2)c1.
What is the InChIKey of 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone?
The InChIKey is PWMPIDMRNBAYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(16)14-5-3-4-12(9-14)8-13-6-7-15(2)10-13/h3-5,9,13H,6-8,10H2,1-2H3.
What are the key properties of 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone?
1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 105471558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).