3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one

C14H18Cl2N2O2 — CID 163241157

IUPAC3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one
SMILESO=C1CCCN1C1CCNC1.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H14N2O.C6H4Cl2O/c11-8-2-1-5-10(8)7-3-4-9-6-7;7-5-2-1-4(9)3-6(5)8/h7,9H,1-6H2;1-3,9H
InChIKeyBYATUPYLBYEDRN-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.67
Rot. Bonds1

About 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one

3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one (PubChem CID 163241157) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one
PubChem CID163241157
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one
SMILESO=C1CCCN1C1CCNC1.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H14N2O.C6H4Cl2O/c11-8-2-1-5-10(8)7-3-4-9-6-7;7-5-2-1-4(9)3-6(5)8/h7,9H,1-6H2;1-3,9H
InChIKeyBYATUPYLBYEDRN-UHFFFAOYSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one?
The IUPAC name of 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one (CID 163241157) is 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one?
The canonical SMILES for 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one is O=C1CCCN1C1CCNC1.Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one?
The InChIKey is BYATUPYLBYEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C6H4Cl2O/c11-8-2-1-5-10(8)7-3-4-9-6-7;7-5-2-1-4(9)3-6(5)8/h7,9H,1-6H2;1-3,9H.
What are the key properties of 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one?
3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one has a molecular weight of 317.22 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 163241157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).