2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate

C14H17Cl2NO2 — CID 5236783

IUPAC2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)OCCN1CCCC1
InChIInChI=1S/C14H17Cl2NO2/c15-12-4-3-11(9-13(12)16)10-14(18)19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2
InChIKeyCYVORFBBJKNNDO-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.17
Rot. Bonds5

About 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate

2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate (PubChem CID 5236783) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate
PubChem CID5236783
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)OCCN1CCCC1
InChIInChI=1S/C14H17Cl2NO2/c15-12-4-3-11(9-13(12)16)10-14(18)19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2
InChIKeyCYVORFBBJKNNDO-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate (CID 5236783) is 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate is O=C(Cc1ccc(Cl)c(Cl)c1)OCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate?
The InChIKey is CYVORFBBJKNNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-12-4-3-11(9-13(12)16)10-14(18)19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2.
What are the key properties of 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate?
2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate has a molecular weight of 302.20 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 5236783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).