(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate

C13H16ClNO2 — CID 65127484

IUPAC(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate
SMILESO=C(CC1CCCN1)OCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO2/c14-11-4-1-3-10(7-11)9-17-13(16)8-12-5-2-6-15-12/h1,3-4,7,12,15H,2,5-6,8-9H2
InChIKeyRSHKTQSUVRJAHQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.53
Rot. Bonds4

About (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate

(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate (PubChem CID 65127484) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate
PubChem CID65127484
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate
SMILESO=C(CC1CCCN1)OCc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO2/c14-11-4-1-3-10(7-11)9-17-13(16)8-12-5-2-6-15-12/h1,3-4,7,12,15H,2,5-6,8-9H2
InChIKeyRSHKTQSUVRJAHQ-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119832684
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292100
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
(3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate
CID 114430091
(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
CID 65127171

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate?
The IUPAC name of (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate (CID 65127484) is (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate?
The canonical SMILES for (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate is O=C(CC1CCCN1)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate?
The InChIKey is RSHKTQSUVRJAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-4-1-3-10(7-11)9-17-13(16)8-12-5-2-6-15-12/h1,3-4,7,12,15H,2,5-6,8-9H2.
What are the key properties of (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate?
(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate has a molecular weight of 253.73 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate is sourced from PubChem (CID 65127484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).