1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone

C15H22N2O3 — CID 66051988

IUPAC1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
SMILESCN(C)CC1CC(O)CN1C(=O)COc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-16(2)9-12-8-13(18)10-17(12)15(19)11-20-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3
InChIKeySQWFXXHLFTYYTN-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.59
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone (PubChem CID 66051988) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
PubChem CID66051988
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
SMILESCN(C)CC1CC(O)CN1C(=O)COc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-16(2)9-12-8-13(18)10-17(12)15(19)11-20-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3
InChIKeySQWFXXHLFTYYTN-UHFFFAOYSA-N
XLogP0.59
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 66053732
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenylethanone
CID 66053160
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 66051422
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 66052196
2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate
CID 95981556
5-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentan-1-one
CID 66056594
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66052174
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 66056195
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pent-4-en-1-one
CID 66051985
2-[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115462954

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone (CID 66051988) is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone is CN(C)CC1CC(O)CN1C(=O)COc1ccccc1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone?
The InChIKey is SQWFXXHLFTYYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(2)9-12-8-13(18)10-17(12)15(19)11-20-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone?
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone has a molecular weight of 278.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 66051988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).