1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C13H16ClNO2 — CID 112626373

IUPAC1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)C1)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO2/c14-12-3-1-2-11(6-12)13(17)8-15-5-4-10(7-15)9-16/h1-3,6,10,16H,4-5,7-9H2
InChIKeyNNLBXGHZOWHCRZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.84
Rot. Bonds4

About 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 112626373) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID112626373
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC(CO)C1)c1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO2/c14-12-3-1-2-11(6-12)13(17)8-15-5-4-10(7-15)9-16/h1-3,6,10,16H,4-5,7-9H2
InChIKeyNNLBXGHZOWHCRZ-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-chlorophenyl)ethanone
CID 115560604
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777497
1-(3-bromophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597175
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
CID 131905298

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 112626373) is 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is O=C(CN1CCC(CO)C1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is NNLBXGHZOWHCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-3-1-2-11(6-12)13(17)8-15-5-4-10(7-15)9-16/h1-3,6,10,16H,4-5,7-9H2.
What are the key properties of 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 253.73 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 112626373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).