1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one

C18H25ClN2O2 — CID 111116454

IUPAC1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C18H25ClN2O2/c19-17-7-2-1-5-14(17)11-15-6-3-9-20(15)12-16(22)13-21-10-4-8-18(21)23/h1-2,5,7,15-16,22H,3-4,6,8-13H2
InChIKeyANDDTIANBPAGRN-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.33
Rot. Bonds6

About 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111116454) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111116454
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C18H25ClN2O2/c19-17-7-2-1-5-14(17)11-15-6-3-9-20(15)12-16(22)13-21-10-4-8-18(21)23/h1-2,5,7,15-16,22H,3-4,6,8-13H2
InChIKeyANDDTIANBPAGRN-UHFFFAOYSA-N
XLogP2.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111116570
1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 42625491
(2R)-2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 95173039
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846837
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846838
4-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564416
4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564415
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
2-[[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphthalazin-1-one
CID 60579385
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one (CID 111116454) is 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCCC1Cc1ccccc1Cl.
What is the InChIKey of 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is ANDDTIANBPAGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-17-7-2-1-5-14(17)11-15-6-3-9-20(15)12-16(22)13-21-10-4-8-18(21)23/h1-2,5,7,15-16,22H,3-4,6,8-13H2.
What are the key properties of 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 336.86 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111116454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).